OpenMolDB

n-hexanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
102.17	1	1	1.56				JN_332	None		Not checked

SMILES: CCCCCCO

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[n-hexanol]	2.34	7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono[6-(o-tolylseleno)-6-deoxy]-b-cyclodextrin](1).[n-hexanol]	1.85	7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono-[6-(phenylseleno)-6-deoxy]-BCD](1).[n-hexanol]	1.55	7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono-[6-[(p-tolyl)seleno]-6-deoxy)-b-cyclodextrin](1).[n-hexanol]	1.67	7.2	25.0	UV-vis spectroscopy	Yu Liu 1998

n-hexyl alcohol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
102.17	1	1	1.56				JN_218	None		Not checked

SMILES: CCCCCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[n-hexyl alcohol]	2.36	0.71		25.0	spectrophotometry	Oswald S.Tee 1996
[b-Cyclodextrin](1).[n-hexyl alcohol]	2.32	0.89	11.6	25.0	displacement of a fluorescent probe	Oswald S.Tee 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[n-hexyl alcohol]	2.36	0.83	11.6	25.0	inhibition kinetics method	Oswald S.Tee 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[n-hexyl alcohol]	2.27	0.53	11.6	25.0	displacement of a fluorescent probe	Oswald S.Tee 1996

n-hexyl group on polymer chain

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_183	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[n-hexyl group on polymer chain]	2.46				NMR spectroscopy	Akira Harada 1997
[b-Cyclodextrin](1).[n-hexyl group on polymer chain]	2.04				NMR spectroscopy	Akira Harada 1997

n-hexylamine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
101.19	1	1	2.23				JN_241	None		Not checked

SMILES: CCCCCCN

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[n-hexylamine]	2.58	1.59	11.6	25.0	displacement of a fluorescent probe	Oswald S.Tee 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[n-hexylamine]	2.32	1.19	11.6	25.0	displacement of a fluorescent probe	Oswald S.Tee 1996

n-metylmorpholine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
101.15	2	0	-0.11				JN_247	None		Not checked

SMILES: CN1CCOCC1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[n-metylmorpholine]	1.63	0.57	11.6	25.0	displacement of a fluorescent probe	Oswald S.Tee 1996

n-nonane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
128.26	0	0	3.76				VR_C182	None		Not checked

SMILES: CCCCCCCCC

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[a-Cyclodextrin](1).[n-nonane]	3.07	1.76	25.0	GC (SHSGC)	É. Fenyvesi 2005
[b-Cyclodextrin](1).[n-nonane]	1.86	0.78	25.0	GC (SHSGC)	É. Fenyvesi 2005
[g-Cyclodextrin](1).[n-nonane]	0.88	0.63	25.0	GC (SHSGC)	É. Fenyvesi 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[n-nonane]	2.10	0.70	25.0	GC (SHSGC)	É. Fenyvesi 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[n-nonane]	1.88	0.70	25.0	GC (SHSGC)	É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[n-nonane]	2.48	1.00	25.0	GC (SHSGC)	É. Fenyvesi 2005

n-octane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
114.23	0	0	3.37				VR_C181	None		Not checked

SMILES: CCCCCCCC

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[a-Cyclodextrin](1).[n-octane]	2.73	1.72	25.0	GC (SHSGC)	É. Fenyvesi 2005
[b-Cyclodextrin](1).[n-octane]	1.68	0.70	25.0	GC (SHSGC)	É. Fenyvesi 2005
[g-Cyclodextrin](1).[n-octane]	1.23	0.78	25.0	GC (SHSGC)	É. Fenyvesi 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[n-octane]	1.90	0.85	25.0	GC (SHSGC)	É. Fenyvesi 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[n-octane]	1.70	0.78	25.0	GC (SHSGC)	É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[n-octane]	2.26		25.0	GC (SHSGC)	É. Fenyvesi 2005

n-octylamine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
129.24	1	1	3.01				JN_259	None		Not checked

SMILES: CCCCCCCCN

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[n-octylamine]	3.28	1.93	11.6	25.0	displacement of a fluorescent probe	Oswald S.Tee 1996

n-octylammonium

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
130.25	0	1	1.59				JN_385	None		Not checked

SMILES: CCCCCCCC[NH3+]

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[n-octylammonium]	2.88			25.0		Joon Woo Park 2002

n-pentanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
88.15	1	1	1.17				JN_331	None		Not checked

SMILES: CCCCCO

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[n-pentanol]	1.80	7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono[6-(m-tolylseleno)-6-deoxy]-b-cyclodextrin](1).[n-pentanol]	2.78	7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono[6-(o-tolylseleno)-6-deoxy]-b-cyclodextrin](1).[n-pentanol]	1.52	7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono-[6-(phenylseleno)-6-deoxy]-BCD](1).[n-pentanol]	1.64	7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono-[6-[(p-tolyl)seleno]-6-deoxy)-b-cyclodextrin](1).[n-pentanol]	1.05	7.2	25.0	UV-vis spectroscopy	Yu Liu 1998

n-pentyl alcohol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
88.15	1	1	1.17				JN_217	None		Not checked

SMILES: CCCCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[n-pentyl alcohol]	1.80			25.0	spectrophotometry	Oswald S.Tee 1996
[b-Cyclodextrin](1).[n-pentyl alcohol]	1.86	0.79	11.6	25.0	displacement of a fluorescent probe	Oswald S.Tee 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[n-pentyl alcohol]	1.78	0.60	11.6	25.0	inhibition kinetics method	Oswald S.Tee 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[n-pentyl alcohol]	1.80	0.30	11.6	25.0	displacement of a fluorescent probe	Oswald S.Tee 1996

n-pentylamine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
87.16	1	1	1.84				JN_240	None		Not checked

SMILES: CCCCCN

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[n-pentylamine]	1.94	0.19	11.6	25.0	displacement of a fluorescent probe	Oswald S.Tee 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[n-pentylamine]	1.86	0.63	11.6	25.0	displacement of a fluorescent probe	Oswald S.Tee 1996

n-propanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
60.10	1	1	0.39				JN_330	None		Not checked

SMILES: CCCO

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[n-propanol]	0.57	7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono[6-(m-tolylseleno)-6-deoxy]-b-cyclodextrin](1).[n-propanol]	2.07	7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono[6-(o-tolylseleno)-6-deoxy]-b-cyclodextrin](1).[n-propanol]	1.67	7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono-[6-(phenylseleno)-6-deoxy]-BCD](1).[n-propanol]	2.28	7.2	25.0	UV-vis spectroscopy	Yu Liu 1998

n-propyl alcohol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
60.10	1	1	0.39				JN_215	None		Not checked

SMILES: CCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[n-propyl alcohol]	0.57			25.0	spectrophotometry	Oswald S.Tee 1996
[b-Cyclodextrin](1).[n-propyl alcohol]	0.62	-0.82	11.6	25.0	displacement of a fluorescent probe	Oswald S.Tee 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[n-propyl alcohol]	0.50	-1.15	11.6	25.0	inhibition kinetics method	Oswald S.Tee 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[n-propyl alcohol]	0.76	-0.22	11.6	25.0	displacement of a fluorescent probe	Oswald S.Tee 1996

n-propylamine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
59.11	1	1	1.06				JN_239	None		Not checked

SMILES: CCCN

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[n-propylamine]	0.97	-0.37	11.6	25.0	displacement of a fluorescent probe	Oswald S.Tee 1996
[b-Cyclodextrin](1).[n-propylamine]	0.95		11.6	25.0	dye displacement method	Oswald S.Tee 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[n-propylamine]	0.85	-0.70	11.6	25.0	displacement of a fluorescent probe	Oswald S.Tee 1996