OpenMolDB

2-Methyl-2-propanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
74.12	1	1	0.78				nt1519	None		Not checked

SMILES: CC(C)(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

2-Methyl-2-propanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
74.12	1	1	0.78				nt1520	None		Not checked

SMILES: CC(C)(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

2-Methyl-4-hydroxy-5-nitrophenylazobenzene-4-carboxylic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
303.27	6	2	2.95				nt0571	None		Not checked

SMILES: CC1=C(C=C([N+]([O-])=O)C(O)(C1)C(O)=O)N=Nc2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-Methyl-4-hydroxy-5-nitrophenylazobenzene-4-carboxylic acid]	2.90			25.0		Kenneth A. Connors 1995

2-Methyl-4-hydroxyphenylazobenzene-4-carboxylic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt0572	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-Methyl-4-hydroxyphenylazobenzene-4-carboxylic acid anion]	3.20			25.0		Kenneth A. Connors 1995

2-Methylacetanilide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
149.19	2	1	2.11				nt0531	None		Not checked

SMILES: CCC(=O)Nc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-Methylacetanilide]	1.23			25.0		Kenneth A. Connors 1995

2-Methylacetanilide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
149.19	2	1	2.11				nt1460	None		Not checked

SMILES: CCC(=O)Nc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-Methylacetanilide]	1.11			25.0		Kenneth A. Connors 1995

2-Methylbenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
136.15	2	1	1.69				nt0540	None		Not checked

SMILES: Cc1ccccc1C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-Methylbenzoic acid]	2.62			25.0		Kenneth A. Connors 1995

2-Methylbenzophenone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
196.24	1	0	3.23				nt1469	None		Not checked

SMILES: Cc1ccccc1C(=O)c2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-Methylbenzophenone]	3.66			25.0		Kenneth A. Connors 1995

2-Methylcinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
162.19	2	1	2.09				nt0558	None		Not checked

SMILES: Cc1ccccc1C=CC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-Methylcinnamic acid]	2.44			25.0		Kenneth A. Connors 1995

2-Methylcinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
162.19	2	1	2.09				nt1480	None		Not checked

SMILES: Cc1ccccc1C=CC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-Methylcinnamic acid]	2.62			25.0		Kenneth A. Connors 1995

2-Methylcyclohexanone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
112.17	1	0	1.77				nt0566	None		Not checked

SMILES: CC1CCCCC1=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-Methylcyclohexanone]	1.48			25.0		Kenneth A. Connors 1995

2-Methylcyclohexanone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
112.17	1	0	1.77				nt1486	None		Not checked

SMILES: CC1CCCCC1=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-Methylcyclohexanone]	2.74			25.0		Kenneth A. Connors 1995

2-Methylnaphthalene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
142.20	0	0	3.15				nt0582	None		Not checked

SMILES: Cc1ccc2ccccc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-Methylnaphthalene]	1.34			25.0		Kenneth A. Connors 1995

2-Methylnaphthalene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
142.20	0	0	3.15				nt1497	None		Not checked

SMILES: Cc1ccc2ccccc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-Methylnaphthalene]	2.85			25.0		Kenneth A. Connors 1995

2-Methylnaphthalene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
142.20	0	0	3.15				nt1944	None		Not checked

SMILES: Cc1ccc2ccccc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[2-Methylnaphthalene]	2.18			25.0		Kenneth A. Connors 1995