OpenMolDB

5-Ethyl-5-n-butylthiobarbituric acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
228.31	5	2	1.76				nt1281	None		Not checked

SMILES: CCCCC1(CC)C(=O)NC(=S)NC1=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

5-Ethyl-5-n-butylthiobarbituric acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
227.30	4	1	1.55				nt0369	None		Not checked

SMILES: S=C(NC(C1(CC)CCCC)=O)[N-]C1=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[5-Ethyl-5-n-butylthiobarbituric acid anion]	2.41			25.0		Kenneth A. Connors 1995

5-Ethyl-5-n-butylthiobarbituric acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
227.30	4	1	1.55				nt1282	None		Not checked

SMILES: S=C(NC(C1(CC)CCCC)=O)[N-]C1=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[5-Ethyl-5-n-butylthiobarbituric acid anion]	2.18			25.0		Kenneth A. Connors 1995

5-Ethyl-5-n-butylthiobarbituric acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
227.30	4	1	1.55				nt1283	None		Not checked

SMILES: S=C(NC(C1(CC)CCCC)=O)[N-]C1=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

5-Ethyl-5-n-heptylbarbituric acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
254.33	5	2	2.77				nt0370	None		Not checked

SMILES: CCCCCCCC1(CC)C(=O)NC(=O)NC1=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[5-Ethyl-5-n-heptylbarbituric acid]	3.62			25.0		Kenneth A. Connors 1995

5-Ethyl-5-n-heptylbarbituric acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
254.33	5	2	2.77				nt1285	None		Not checked

SMILES: CCCCCCCC1(CC)C(=O)NC(=O)NC1=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[5-Ethyl-5-n-heptylbarbituric acid]	3.72			25.0		Kenneth A. Connors 1995

5-Ethyl-5-n-heptylbarbituric acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
254.33	5	2	2.77				nt1286	None		Not checked

SMILES: CCCCCCCC1(CC)C(=O)NC(=O)NC1=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

5-Ethyl-5-n-heptylbarbituric acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
253.32	4	1	2.55				nt0371	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[5-Ethyl-5-n-heptylbarbituric acid anion]	2.93			25.0		Kenneth A. Connors 1995

5-Ethyl-5-n-heptylbarbituric acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
253.32	4	1	2.55				nt1287	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[5-Ethyl-5-n-heptylbarbituric acid anion]	3.24			25.0		Kenneth A. Connors 1995

5-Ethyl-5-n-heptylbarbituric acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
253.32	4	1	2.55				nt1288	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

5-Ethyl-5-n-hexylbarbituric acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
240.30	5	2	2.38				nt0372	None		Not checked

SMILES: CCCCCCC1(CC)C(=O)NC(=O)NC1=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[5-Ethyl-5-n-hexylbarbituric acid]	3.38			25.0		Kenneth A. Connors 1995

5-Ethyl-5-n-hexylbarbituric acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
240.30	5	2	2.38				nt1289	None		Not checked

SMILES: CCCCCCC1(CC)C(=O)NC(=O)NC1=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[5-Ethyl-5-n-hexylbarbituric acid]	3.46			25.0		Kenneth A. Connors 1995

5-Ethyl-5-n-hexylbarbituric acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
240.30	5	2	2.38				nt1290	None		Not checked

SMILES: CCCCCCC1(CC)C(=O)NC(=O)NC1=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

5-Ethyl-5-n-hexylbarbituric acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
239.29	4	1	2.16				nt0373	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[5-Ethyl-5-n-hexylbarbituric acid anion]	2.83			25.0		Kenneth A. Connors 1995

5-Ethyl-5-n-hexylbarbituric acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
239.29	4	1	2.16				nt1291	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[5-Ethyl-5-n-hexylbarbituric acid anion]	2.91			25.0		Kenneth A. Connors 1995