OpenMolDB

1-Hexanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
102.17	1	1	1.56				nt1358	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				nt1359	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_C22	None		Not checked

SMILES: CCCCCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[1-Hexanol]	1.11			25.0	GC	Isao Sanemasa 1999

1-Hexanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
102.17	1	1	1.56				SF_C1492	None		Not checked

SMILES: CCCCCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1-Hexanol ]	2.90	1.49	5.5	25.0	Calorimetry	Giuseppina Castronuovo 2000
[a-Cyclodextrin](1).[1-Hexanol ]	2.72	0.85	7.0	25.0	Calorimetry	Giuseppina Castronuovo 2000
[a-Cyclodextrin](1).[1-Hexanol ]	2.83	1.76	11.3	25.0	Calorimetry	Giuseppina Castronuovo 2000
[a-Cyclodextrin](1).[1-Hexanol ]	2.64	1.34	1.3	25.0	Calorimetry	Giuseppina Castronuovo 2000

1-Hexylamine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
101.19	1	1	2.23				SF_C1501	None		Not checked

SMILES: CCCCCCN

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1-Hexylamine ]	2.60	0.70	1.3	25.0	Calorimetry	Giuseppina Castronuovo 2000

1-Hydroxyadamantane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
152.23	1	1	1.95				nt1375	None		Not checked

SMILES: OC12CC3CC(CC(C3)C1)C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[1-Hydroxyadamantane]	4.48			25.0		Kenneth A. Connors 1995

1-Hydroxyadamantane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
152.23	1	1	1.95				nt1376	None		Not checked

SMILES: OC12CC3CC(CC(C3)C1)C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

1-Methyl-4-(4'-hydroxystyryl)pyridinium

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
212.27	1	1	2.39				nt1493	None		Not checked

SMILES: C[n+]1ccc(C=Cc2ccc(O)cc2)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[1-Methyl-4-(4'-hydroxystyryl)pyridinium]	2.38			25.0		Kenneth A. Connors 1995

1-Methyl-4-(4'-hydroxystyryl)pyridinium

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
212.27	1	1	2.39				nt1494	None		Not checked

SMILES: C[n+]1ccc(C=Cc2ccc(O)cc2)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

1-Methylnaphthalene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
142.20	0	0	3.15				nt0581	None		Not checked

SMILES: Cc1cccc2ccccc12

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1-Methylnaphthalene]	1.60			25.0		Kenneth A. Connors 1995

1-Methylnaphthalene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
142.20	0	0	3.15				nt1495	None		Not checked

SMILES: Cc1cccc2ccccc12

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[1-Methylnaphthalene]	2.76			25.0		Kenneth A. Connors 1995

1-Methylnaphthalene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
142.20	0	0	3.15				nt1496	None		Not checked

SMILES: Cc1cccc2ccccc12

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

1-Methylnaphthalene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
142.20	0	0	3.15				nt1943	None		Not checked

SMILES: Cc1cccc2ccccc12

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[1-Methylnaphthalene]	2.11			25.0		Kenneth A. Connors 1995

1-Naphthaleneacetic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
185.20	1	0	1.13				nt0619	None		Not checked

SMILES: O=C([O-])CC1=C2C=CC=CC2=CC=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1-Naphthaleneacetic acid anion]	2.94			25.0		Kenneth A. Connors 1995

1-Naphthalenesulfonate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1541	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[1-Naphthalenesulfonate anion]	3.40			25.0		Kenneth A. Connors 1995