OpenMolDB

3,4-Dihydroxycinnamic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
179.15	3	2	-0.14				nt1191	None		Not checked

SMILES: O=C([O-])C=CC1=CC=C(O)C(O)=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

3,4-Dimethoxycinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
208.21	4	1	1.80				nt0302	None		Not checked

SMILES: COc1ccc(C=CC(O)=O)cc1OC

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3,4-Dimethoxycinnamic acid]	3.62			25.0		Kenneth A. Connors 1995

3,4-Dimethoxycinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
208.21	4	1	1.80				nt1195	None		Not checked

SMILES: COc1ccc(C=CC(O)=O)cc1OC

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3,4-Dimethoxycinnamic acid]	3.04			25.0		Kenneth A. Connors 1995

3,4-dichlorophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
163.00	1	1	2.70				SF_C781	None		Not checked

SMILES: Oc1ccc(Cl)c(Cl)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3,4-dichlorophenol]	2.08	1.18	2.0	20.0	UV-vis spectroscopy	Miguel A. Garcia-Garibay 2001
[b-Cyclodextrin](1).[3,4-dichlorophenol]	3.00	1.78	4.5	20.0	UV-vis spectroscopy	Miguel A. Garcia-Garibay 2001
[b-Cyclodextrin](1).[3,4-dichlorophenol]	3.32	1.45	7.0	20.0	NMR spectroscopy	Miguel A. Garcia-Garibay 2001

3,4-dihydroxyphenethylamine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
153.18	3	3	1.30				SF_C146	None		Not checked

SMILES: NCCc1ccc(O)c(O)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[heptakis-6-thio-6-deoxy-b-CD](1).[3,4-dihydroxyphenethylamine]	3.81	2.48	7.0	20.0	Cyclic voltammetry, square wave (SWV) voltammetry	Alex Fragoso 2004

3,4-dinitrophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
184.11	3	1	2.26				SF_C1671	None		Not checked

SMILES: Oc1ccc(c(c1)[N+]([O-])=O)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[diethylaminoethyl-a-CD](1).[3,4-dinitrophenol]	2.51			20.0	UV-vis spectroscopy	Tatsuhiko Yagi 1993

3,4-dinitrophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
184.11	3	1	2.26				SF_C1672	None		Not checked

SMILES: Oc1ccc(c(c1)[N+]([O-])=O)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

3,5-Dichloro-4-hydroxyphenylazobenzene-4-carboxylic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt0267	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3,5-Dichloro-4-hydroxyphenylazobenzene-4-carboxylic acid anion]	4.86			25.0		Kenneth A. Connors 1995

3,5-Dimethoxycinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
208.21	4	1	1.80				nt0303	None		Not checked

SMILES: COc1cc(OC)cc(C=CC(O)=O)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3,5-Dimethoxycinnamic acid]	3.29			25.0		Kenneth A. Connors 1995

3,5-Dimethyl-4-hydroxybenzoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
165.17	2	1	0.37				nt0315	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3,5-Dimethyl-4-hydroxybenzoic acid anion]	1.25			25.0		Kenneth A. Connors 1995

3,5-Dimethyl-4-hydroxycinnamic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
191.20	2	1	0.77				nt0316	None		Not checked

SMILES: O=C([O-])C=CC1=CC(C)=C(O)C(C)=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3,5-Dimethyl-4-hydroxycinnamic acid anion]	2.51			25.0		Kenneth A. Connors 1995

3,5-Dimethyl-4-hydroxycinnamic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
191.20	2	1	0.77				nt0317	None		Not checked

SMILES: O=C([O-])C=CC1=CC(C)=C(O)C(C)=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

3,5-Dimethyl-4-hydroxycinnamic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
191.20	2	1	0.77				nt0318	None		Not checked

SMILES: O=C([O-])C=CC1=CC(C)=C(O)C(C)=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

3,5-Dimethyl-4-hydroxyhydrocinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
194.23	3	2	2.03				nt0321	None		Not checked

SMILES: Cc1cc(CCC(O)=O)cc(C)c1O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3,5-Dimethyl-4-hydroxyhydrocinnamic acid]	1.14			25.0		Kenneth A. Connors 1995

3,5-Dimethyl-4-hydroxyhydrocinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
194.23	3	2	2.03				nt0322	None		Not checked

SMILES: Cc1cc(CCC(O)=O)cc(C)c1O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref