OpenMolDB

4-Methoxyindole

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
147.17	1	1	2.18				SF_C172	None		Not checked

SMILES: COc1cccc2[nH]ccc12

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Methoxyindole]	2.21	0.48	7.0	18.0	HPLC-method	Arantza Zornoza 2005

4-Methoxyphenol anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
125.15	2	1	0.64				nt0530	None		Not checked

SMILES: COC1=CCC(O)[C-]=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Methoxyphenol anion]	0.43			25.0		Kenneth A. Connors 1995

4-Methyl-2-pentanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
102.17	1	1	1.41				nt0595	None		Not checked

SMILES: CC(C)CC(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Methyl-2-pentanol]	1.72			25.0		Kenneth A. Connors 1995

4-Methyl-2-pentanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
102.17	1	1	1.41				nt1508	None		Not checked

SMILES: CC(C)CC(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Methyl-2-pentanol]	2.04			25.0		Kenneth A. Connors 1995

4-Methylacetanilide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
149.19	2	1	2.03				nt0533	None		Not checked

SMILES: CC(=O)Nc1ccc(C)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Methylacetanilide]	1.50			25.0		Kenneth A. Connors 1995

4-Methylacetanilide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
149.19	2	1	2.03				nt1462	None		Not checked

SMILES: CC(=O)Nc1ccc(C)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Methylacetanilide]	2.00			25.0		Kenneth A. Connors 1995

4-Methylaniline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
107.15	1	1	2.16				nt0536	None		Not checked

SMILES: Cc1ccc(N)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Methylaniline]	1.76			25.0		Kenneth A. Connors 1995

4-Methylaniline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
107.15	1	1	2.16				nt0537	None		Not checked

SMILES: Cc1ccc(N)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-Methylanisole

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
122.16	1	0	2.00				nt0538	None		Not checked

SMILES: COc1ccc(C)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Methylanisole]	1.82			25.0		Kenneth A. Connors 1995

4-Methylanisole

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
122.16	1	0	2.00				nt0539	None		Not checked

SMILES: COc1ccc(C)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-Methylbenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
136.15	2	1	1.69				nt0545	None		Not checked

SMILES: Cc1ccc(cc1)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Methylbenzoic acid]	3.04			25.0		Kenneth A. Connors 1995

4-Methylbenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
136.15	2	1	1.69				nt0546	None		Not checked

SMILES: Cc1ccc(cc1)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-Methylbenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
136.15	2	1	1.69				nt0547	None		Not checked

SMILES: Cc1ccc(cc1)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-Methylbenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
136.15	2	1	1.69				nt1467	None		Not checked

SMILES: Cc1ccc(cc1)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Methylbenzoic acid]	3.23			25.0		Kenneth A. Connors 1995

4-Methylbenzoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
135.14	1	0	0.36				nt0548	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Methylbenzoic acid anion]	0.82			25.0		Kenneth A. Connors 1995