OpenMolDB

n-Propylbenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
120.19	0	0	2.64				nt1742	None		Not checked

SMILES: CCCc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[n-Propylbenzene]	1.66			25.0		Kenneth A. Connors 1995

n-Propylbenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
120.19	0	0	2.64				nt1980	None		Not checked

SMILES: CCCc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[n-Propylbenzene]	1.72			25.0		Kenneth A. Connors 1995

n-butanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
74.12	1	1	0.78				JN_187	None		Not checked

SMILES: CCCCO

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[n-butanol]	1.30			NMR spectroscopy	Akira Harada 1997
[b-Cyclodextrin](1).[n-butanol]	1.22	7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono[6-(m-tolylseleno)-6-deoxy]-b-cyclodextrin](1).[n-butanol]	2.07	7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono[6-(o-tolylseleno)-6-deoxy]-b-cyclodextrin](1).[n-butanol]	1.38	7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono-[6-(phenylseleno)-6-deoxy]-BCD](1).[n-butanol]	2.01	7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono-[6-[(p-tolyl)seleno]-6-deoxy)-b-cyclodextrin](1).[n-butanol]	1.75	7.2	25.0	UV-vis spectroscopy	Yu Liu 1998

n-butyl alcohol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
74.12	1	1	0.78				JN_216	None		Not checked

SMILES: CCCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[n-butyl alcohol]	1.25	-0.49		25.0	spectrophotometry	Oswald S.Tee 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[n-butyl alcohol]	1.19	-0.62	11.6	25.0	inhibition kinetics method	Oswald S.Tee 1996

n-butyl group on polymer chain

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_181	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[n-butyl group on polymer chain]	1.74				NMR spectroscopy	Akira Harada 1997

n-butylamine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
73.14	1	1	1.45				JN_238	None		Not checked

SMILES: CCCCN

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[n-butylamine]	2.13		11.6	25.0	displacement of a fluorescent probe	Oswald S.Tee 1996
[b-Cyclodextrin](1).[n-butylamine]	1.00		11.6	25.0	dye displacement method	Oswald S.Tee 1996
[b-Cyclodextrin](1).[n-butylamine]	0.48		11.6	25.0	indicator displacement method	Oswald S.Tee 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[n-butylamine]	1.37	0.09	11.6	25.0	displacement of a fluorescent probe	Oswald S.Tee 1996

n-decane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
142.28	0	0	4.15				VR_C183	None		Not checked

SMILES: CCCCCCCCCC

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[a-Cyclodextrin](1).[n-decane]	3.12	2.16	25.0	GC (SHSGC)	É. Fenyvesi 2005
[b-Cyclodextrin](1).[n-decane]	1.95	1.20	25.0	GC (SHSGC)	É. Fenyvesi 2005
[g-Cyclodextrin](1).[n-decane]	1.30	1.26	25.0	GC (SHSGC)	É. Fenyvesi 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[n-decane]	2.20	1.00	25.0	GC (SHSGC)	É. Fenyvesi 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[n-decane]	1.94	0.85	25.0	GC (SHSGC)	É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[n-decane]	2.51	1.26	25.0	GC (SHSGC)	É. Fenyvesi 2005

n-dimethyl-hexalamine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_243	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[n-dimethyl-hexalamine]	2.18	0.92	11.6	25.0	displacement of a fluorescent probe	Oswald S.Tee 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[n-dimethyl-hexalamine]	2.44	1.43	11.6	25.0	displacement of a fluorescent probe	Oswald S.Tee 1996

n-dodecane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
170.33	0	0	4.93				VR_C185	None		Not checked

SMILES: CCCCCCCCCCCC

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[a-Cyclodextrin](1).[n-dodecane]	3.34	2.46	25.0	GC (SHSGC)	É. Fenyvesi 2005
[b-Cyclodextrin](1).[n-dodecane]	2.38	1.76	25.0	GC (SHSGC)	É. Fenyvesi 2005
[g-Cyclodextrin](1).[n-dodecane]	1.56	1.34	25.0	GC (SHSGC)	É. Fenyvesi 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[n-dodecane]	1.82	1.08	25.0	GC (SHSGC)	É. Fenyvesi 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[n-dodecane]	1.52	0.95	25.0	GC (SHSGC)	É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[n-dodecane]	2.57	2.27	25.0	GC (SHSGC)	É. Fenyvesi 2005

n-etylmorpholine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_248	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[n-etylmorpholine]	1.78	0.40	11.6	25.0	displacement of a fluorescent probe	Oswald S.Tee 1996

n-heptane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
100.20	0	0	2.98				VR_C180	None		Not checked

SMILES: CCCCCCC

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[a-Cyclodextrin](1).[n-heptane]	2.44	1.57	25.0	GC (SHSGC)	É. Fenyvesi 2005
[b-Cyclodextrin](1).[n-heptane]	1.71	1.18	25.0	GC (SHSGC)	É. Fenyvesi 2005
[g-Cyclodextrin](1).[n-heptane]	1.49	1.26	25.0	GC (SHSGC)	É. Fenyvesi 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[n-heptane]	2.05	1.40	25.0	GC (SHSGC)	É. Fenyvesi 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[n-heptane]	1.63	2.06	25.0	GC (SHSGC)	É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[n-heptane]	2.01	1.23	25.0	GC (SHSGC)	É. Fenyvesi 2005

n-heptanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
116.20	1	1	1.95				JN_333	None		Not checked

SMILES: CCCCCCCO

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[n-heptanol]	2.85	7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono[6-(o-tolylseleno)-6-deoxy]-b-cyclodextrin](1).[n-heptanol]	2.60	7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono-[6-(phenylseleno)-6-deoxy]-BCD](1).[n-heptanol]	2.55	7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono-[6-[(p-tolyl)seleno]-6-deoxy)-b-cyclodextrin](1).[n-heptanol]	3.50	7.2	25.0	UV-vis spectroscopy	Yu Liu 1998

n-heptil alcohol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_219	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[n-heptil alcohol]	2.85			25.0	spectrophotometry	Oswald S.Tee 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[n-heptil alcohol]	2.82	1.76	11.6	25.0	inhibition kinetics method	Oswald S.Tee 1996

n-heptylamine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
115.22	1	1	2.62				JN_242	None		Not checked

SMILES: CCCCCCCN

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[n-heptylamine]	3.02	1.65	11.6	25.0	displacement of a fluorescent probe	Oswald S.Tee 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[n-heptylamine]	2.88	1.46	11.6	25.0	displacement of a fluorescent probe	Oswald S.Tee 1996

n-hexane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
86.18	0	0	2.59				VR_C179	None		Not checked

SMILES: CCCCCC

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[a-Cyclodextrin](1).[n-hexane]	1.65	0.70	25.0	GC (SHSGC)	É. Fenyvesi 2005
[b-Cyclodextrin](1).[n-hexane]	0.99	0.48	25.0	GC (SHSGC)	É. Fenyvesi 2005
[g-Cyclodextrin](1).[n-hexane]	0.46		25.0	GC (SHSGC)	É. Fenyvesi 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[n-hexane]	1.08	0.70	25.0	GC (SHSGC)	É. Fenyvesi 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[n-hexane]	1.00	0.67	25.0	GC (SHSGC)	É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[n-hexane]	1.71		25.0	GC (SHSGC)	É. Fenyvesi 2005