OpenMolDB

Bencyclane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
289.46	2	0	4.29				nt0966	None		Not checked

SMILES: CN(C)CCCOC1(CCCCCC1)Cc2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Bencyclane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
289.46	2	0	4.29				nt0967	None		Not checked

SMILES: CN(C)CCCOC1(CCCCCC1)Cc2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Bencyclane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
289.46	2	0	4.29				nt1853	None		Not checked

SMILES: CN(C)CCCOC1(CCCCCC1)Cc2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Bencyclane]	3.60			25.0		Kenneth A. Connors 1995

Bencyclane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
289.46	2	0	4.29				nt1854	None		Not checked

SMILES: CN(C)CCCOC1(CCCCCC1)Cc2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Benoxaprofen

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
301.72	3	1	4.34				nt0968	None		Not checked

SMILES: CC(C(O)=O)c1ccc2oc(nc2c1)c3ccc(Cl)cc3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Benoxaprofen]	3.01			25.0		Kenneth A. Connors 1995

Benoxaprofen anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt0969	None

SMILES:

Supramolecules

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

Benz[a]anthracene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
228.29	0	0	5.15				nt0052	None		Not checked

SMILES: c1ccc2cc3c(ccc4ccccc34)cc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Benz[a]anthracene]	1.94			25.0		Kenneth A. Connors 1995

Benz[a]anthracene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
228.29	0	0	5.15				nt0053	None		Not checked

SMILES: c1ccc2cc3c(ccc4ccccc34)cc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Benz[a]anthracene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
228.29	0	0	5.15				nt0972	None		Not checked

SMILES: c1ccc2cc3c(ccc4ccccc34)cc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Benz[a]anthracene]	3.54			25.0		Kenneth A. Connors 1995

Benz[a]anthracene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
228.29	0	0	5.15				nt0973	None		Not checked

SMILES: c1ccc2cc3c(ccc4ccccc34)cc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Benz[a]anthracene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
228.29	0	0	5.15				nt1855	None		Not checked

SMILES: c1ccc2cc3c(ccc4ccccc34)cc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Benz[a]anthracene]	2.78			25.0		Kenneth A. Connors 1995

Benz[a]anthracene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
228.29	0	0	5.15				nt1856	None		Not checked

SMILES: c1ccc2cc3c(ccc4ccccc34)cc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Benzalacetone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
146.19	1	0	2.29				nt0050	None		Not checked

SMILES: CC(=O)C=Cc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Benzalacetone]	2.02			25.0		Kenneth A. Connors 1995

Benzaldehyde

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
106.12	1	0	1.50				nt0051	None		Not checked

SMILES: O=Cc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Benzaldehyde]	3.39			25.0		Kenneth A. Connors 1995

Benzaldehyde

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
106.12	1	0	1.50				nt0970	None		Not checked

SMILES: O=Cc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Benzaldehyde]	3.25			25.0		Kenneth A. Connors 1995