OpenMolDB

Metharbital anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1452	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Methoxybenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
108.14	1	0	1.70				nt0514	None		Not checked

SMILES: COc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Methoxybenzene]	2.43			25.0		Kenneth A. Connors 1995

Methoxybenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
108.14	1	0	1.70				nt0515	None		Not checked

SMILES: COc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Methoxybenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
108.14	1	0	1.70				nt1454	None		Not checked

SMILES: COc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Methoxybenzene]	2.14			25.0		Kenneth A. Connors 1995

Methyl 3,4,5-trihydroxybenzoate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
184.15	5	3	0.59				nt0615	None		Not checked

SMILES: COC(=O)c1cc(O)c(O)c(O)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Methyl 3,4,5-trihydroxybenzoate]	2.33			25.0		Kenneth A. Connors 1995

Methyl 3,4,5-trihydroxybenzoate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
184.15	5	3	0.59				nt0616	None		Not checked

SMILES: COC(=O)c1cc(O)c(O)c(O)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Methyl 3,4-dihydroxybenzoate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
168.15	4	2	0.88				nt0567	None		Not checked

SMILES: COC(=O)c1ccc(O)c(O)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Methyl 3,4-dihydroxybenzoate]	2.65			25.0		Kenneth A. Connors 1995

Methyl 4-hydroxybenzoate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
152.15	3	1	1.18				nt0569	None		Not checked

SMILES: COC(=O)c1ccc(O)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Methyl 4-hydroxybenzoate]	2.76			25.0		Kenneth A. Connors 1995

Methyl Orange

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
327.33	5	0	4.15				nt0587	None		Not checked

SMILES: [Na+].CN(C)c1ccc(cc1)N=Nc2ccc(cc2)[S]([O-])(=O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Methyl Orange]	2.83			25.0		Kenneth A. Connors 1995
[a-Cyclodextrin](1).[Methyl Orange]	2.83	0.00	1.0	25.0	UV-vis spectroscopy	Agustín G. Asuero 2006

Methyl Orange

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
327.33	5	0	4.15				nt0588	None		Not checked

SMILES: [Na+].CN(C)c1ccc(cc1)N=Nc2ccc(cc2)[S]([O-])(=O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Methyl Orange

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
327.33	5	0	4.15				nt0589	None		Not checked

SMILES: [Na+].CN(C)c1ccc(cc1)N=Nc2ccc(cc2)[S]([O-])(=O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Methyl Orange

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
327.33	5	0	4.15				nt0590	None		Not checked

SMILES: [Na+].CN(C)c1ccc(cc1)N=Nc2ccc(cc2)[S]([O-])(=O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Methyl Orange

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
327.33	5	0	4.15				nt0591	None		Not checked

SMILES: [Na+].CN(C)c1ccc(cc1)N=Nc2ccc(cc2)[S]([O-])(=O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Methyl Orange

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
327.33	5	0	4.15				nt0592	None		Not checked

SMILES: [Na+].CN(C)c1ccc(cc1)N=Nc2ccc(cc2)[S]([O-])(=O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Methyl Orange

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
327.33	5	0	4.15				nt0593	None		Not checked

SMILES: [Na+].CN(C)c1ccc(cc1)N=Nc2ccc(cc2)[S]([O-])(=O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref