OpenMolDB

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				nt1292	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

5-Ethyl-5-n-hexylthiobarbituric acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
256.36	5	2	2.54				nt0374	None		Not checked

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

Supramolecules

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

5-Ethyl-5-n-hexylthiobarbituric acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
256.36	5	2	2.54				nt1293	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[5-Ethyl-5-n-hexylthiobarbituric acid]	3.68			25.0		Kenneth A. Connors 1995

5-Ethyl-5-n-hexylthiobarbituric acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
256.36	5	2	2.54				nt1294	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

5-Ethyl-5-n-hexylthiobarbituric acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
255.36	4	1	2.33				nt0375	None		Not checked

SMILES: S=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-hexylthiobarbituric acid anion]	2.98			25.0		Kenneth A. Connors 1995

5-Ethyl-5-n-hexylthiobarbituric acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
255.36	4	1	2.33				nt1295	None		Not checked

SMILES: S=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-hexylthiobarbituric acid anion]	3.05			25.0		Kenneth A. Connors 1995

5-Ethyl-5-n-hexylthiobarbituric acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
255.36	4	1	2.33				nt1296	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

5-Ethyl-5-n-pentylbarbituric acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
226.27	5	2	1.99				nt0385	None		Not checked

SMILES: CCCCCC1(CC)C(=O)NC(=O)NC1=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[5-Ethyl-5-n-pentylbarbituric acid]	2.94			25.0		Kenneth A. Connors 1995

5-Ethyl-5-n-pentylbarbituric acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
226.27	5	2	1.99				nt1301	None		Not checked

SMILES: CCCCCC1(CC)C(=O)NC(=O)NC1=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[5-Ethyl-5-n-pentylbarbituric acid]	3.11			25.0		Kenneth A. Connors 1995

5-Ethyl-5-n-pentylbarbituric acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
226.27	5	2	1.99				nt1302	None		Not checked

SMILES: CCCCCC1(CC)C(=O)NC(=O)NC1=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

5-Ethyl-5-n-pentylbarbituric acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
225.26	4	1	1.77				nt0386	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[5-Ethyl-5-n-pentylbarbituric acid anion]	2.65			25.0		Kenneth A. Connors 1995

5-Ethyl-5-n-pentylbarbituric acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
225.26	4	1	1.77				nt1303	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[5-Ethyl-5-n-pentylbarbituric acid anion]	2.54			25.0		Kenneth A. Connors 1995

5-Ethyl-5-n-pentylbarbituric acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
225.26	4	1	1.77				nt1304	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

5-Ethyl-5-n-pentylthiobarbituric acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
242.34	5	2	2.15				nt0387	None		Not checked

SMILES: CCCCCC1(CC)C(=O)NC(=S)NC1=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[5-Ethyl-5-n-pentylthiobarbituric acid]	3.27			25.0		Kenneth A. Connors 1995

5-Ethyl-5-n-pentylthiobarbituric acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
242.34	5	2	2.15				nt1305	None		Not checked

SMILES: CCCCCC1(CC)C(=O)NC(=S)NC1=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[5-Ethyl-5-n-pentylthiobarbituric acid]	3.32			25.0		Kenneth A. Connors 1995