OpenMolDB

1-heptanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
116.20	1	1	1.95				SF_C1218	None		Not checked

SMILES: CCCCCCCO

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1-heptanol ]	3.17	7.0	25.0	Modified static head-space gas chromatography method	Yoshihiro Saito 2004
[a-Cyclodextrin](1).[1-heptanol ]	3.36			Spectrophotometry	Yoshihiro Saito 2004
[a-Cyclodextrin](1).[1-heptanol ]	3.10			Surface tension	Yoshihiro Saito 2004

1-hexanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
102.17	1	1	1.56				NT_b0162	None		Not checked

SMILES: CCCCCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[L-Trp-b-CD](1).[1-hexanol]	1.48		7.2	25.0	spectropolarimetric titration	Yu Liu 1999

1-hexanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
102.17	1	1	1.56				SF_C1121	None		Not checked

SMILES: CCCCCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[1-hexanol]	2.34		7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[b-Cyclodextrin](1).[1-hexanol]	2.17	0.99	1.0	25.0	UV-vis spectroscopy	L. Garcia-Rio 2005
[mono[6-O-(1-benzotriazole)]-b-cyclodextrin](1).[1-hexanol]	2.25		7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[1-hexanol]	1.61		7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001

1-hexanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
102.17	1	1	1.56				SF_C1217	None		Not checked

SMILES: CCCCCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1-hexanol]	2.97		7.0	25.0	Modified static head-space gas chromatography method	Yoshihiro Saito 2004
[a-Cyclodextrin](1).[1-hexanol]	2.95				Spectrophotometry	Yoshihiro Saito 2004
[a-Cyclodextrin](1).[1-hexanol]	2.84				Surface tension	Yoshihiro Saito 2004
[a-Cyclodextrin](1).[1-hexanol]	2.84	1.26		25.0	Surface tension	Yoshihiro Saito 2000
[a-Cyclodextrin](1).[1-hexanol]	4.95		6.4	20.0	electrochemical masurements, cyclic voltammetry	Marcin Majda 2000
[a-Cyclodextrin](1).[1-hexanol]	2.95				spectrophotometry	Marcin Majda 2000

1-hexanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
102.17	1	1	1.56				SF_C170	None		Not checked

SMILES: CCCCCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

1-hexanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
102.17	1	1	1.56				VR_C134	None		Not checked

SMILES: CCCCCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

1-hexanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
102.17	1	1	1.56				JN_405	None		Not checked

SMILES: CCCCCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

1-hexanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
102.17	1	1	1.56				SF_C1015	None		Not checked

SMILES: CCCCCCO

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[mono[6-(p-methoxyphenylseleno)-6- deoxy]-.beta.-cyclodextrin](1).[1-hexanol ]	2.34	7.2	25.0	Circular dichroism spectroscopy	Yu Liu 1999
[mono[6-(p-metholxylphenylseleno)-6-deoxy]-b-cyclodextrin](1).[1-hexanol ]	1.68	7.2	25.0	Circular dichroism spectroscopy	Yu Liu 1999
[mono[6-(ptolylseleno)-6-deoxy]-b-cyclodextrin](1).[1-hexanol ]	1.91	7.2	25.0	Circular dichroism spectroscopy	Yu Liu 1999

1-hexanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
102.17	1	1	1.56				SF_C1412	None		Not checked

SMILES: CCCCCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1-hexanol ]	3.12	1.00	7.0	25.0	Calorimetry	Giuseppina Castronuovo 1998
[a-Cyclodextrin](1).[1-hexanol ]	3.07	1.98	11.3	25.0	Calorimetry	Giuseppina Castronuovo 1998
[a-Cyclodextrin](1).[1-hexanol ]	2.92	1.76	1.3	25.0	Calorimetry	Giuseppina Castronuovo 1998
[a-Cyclodextrin](1).[1-hexanol ]	2.92	1.48	7.0	25.0	Titration Calorimetry	Yoshihisa Inoue 2002

1-hexanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
102.17	1	1	1.56				SF_C1515	None		Not checked

SMILES: CCCCCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

1-hydroxymethyl-2,3-diazabicyclo[2.2.2]oct-2-ene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
140.18	3	1	0.00				SF_C866	None		Not checked

SMILES: OCC12CCC(CC1)N=N2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[1-hydroxymethyl-2,3-diazabicyclo[2.2.2]oct-2-ene]	2.26	1.30	7.0	25.0	UV-vis spectroscopy and NMR spetroscopy	Werner M. Nau 2002

1-methyl pyrenoate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
260.29	2	0	4.37				NT_c0253	None		Not checked

SMILES: COC(=O)c1ccc2ccc3cccc4ccc1c2c34

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[b-Cyclodextrin](1).[1-methyl pyrenoate]	1.76	1.49	5.0	steady-state fluorescence measurement	Francisco Mendicuti 1999
[b-Cyclodextrin](1).[1-methyl pyrenoate]	1.54	1.65	15.0	steady-state fluorescence measurement	Francisco Mendicuti 1999
[b-Cyclodextrin](1).[1-methyl pyrenoate]	1.53	1.68	25.0	steady-state fluorescence measurement	Francisco Mendicuti 1999
[b-Cyclodextrin](1).[1-methyl pyrenoate]	1.36	1.73	35.0	steady-state fluorescence measurement	Francisco Mendicuti 1999
[b-Cyclodextrin](1).[1-methyl pyrenoate]	1.28	1.75	45.0	steady-state fluorescence measurement	Francisco Mendicuti 1999

1-methyl-3-phenylpropyl-amine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
149.23	1	1	2.67				SF_C1603	None		Not checked

SMILES: CC(N)CCc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-(6-amino-6-deoxy)-b-CD](1).[1-methyl-3-phenylpropyl-amine ]	1.96	0.60	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002
[b-Cyclodextrin](1).[1-methyl-3-phenylpropyl-amine ]	2.27	0.48	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002

1-methyl-3-phenylpropylamine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
149.23	1	1	2.67				SF_C1114	None		Not checked

SMILES: CC(N)CCc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[1-methyl-3-phenylpropylamine ]	2.27	0.48	6.9	25.0	Microcalorimetry	Yoshihisa Inoue 2000
[b-Cyclodextrin](1).[1-methyl-3-phenylpropylamine ]	2.27	0.48	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002

1-methyl-3-phenylpropylamine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
149.23	1	1	2.67				SF_C1528	None		Not checked

SMILES: CC(N)CCc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref