OpenMolDB

4-Hydroxycoumarin anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
162.14	2	1	0.60				nt1388	None		Not checked

SMILES: O=C1[O-]C2=C(C=CC=C2)C(O)=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-Hydroxyethylphenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
138.16	2	2	0.93				nt1389	None		Not checked

SMILES: OCCc1ccc(O)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Hydroxyethylphenol]	2.52			25.0		Kenneth A. Connors 1995

4-Hydroxymethylphenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
124.14	2	2	0.88				nt1394	None		Not checked

SMILES: OCc1ccc(O)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Hydroxymethylphenol]	2.16			25.0		Kenneth A. Connors 1995

4-Hydroxyphenylazobenzene-4-carboxylic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt0464	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Hydroxyphenylazobenzene-4-carboxylic acid anion]	4.13			25.0		Kenneth A. Connors 1995

4-Hydroxyphenylazobenzene-4-sulfonate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
279.29	5	1	2.93				nt0467	None		Not checked

SMILES: OC1(CC=C(C=C1)N=Nc2ccccc2)[S]([O-])(=O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Hydroxyphenylazobenzene-4-sulfonate]	3.76			25.0		Kenneth A. Connors 1995

4-Hydroxyphenylazobenzene-4-sulfonate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
279.29	5	1	2.93				nt0468	None		Not checked

SMILES: OC1(CC=C(C=C1)N=Nc2ccccc2)[S]([O-])(=O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-Hydroxyphenylazobenzene-4-sulfonate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt0465	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Hydroxyphenylazobenzene-4-sulfonate anion]	3.80			25.0		Kenneth A. Connors 1995

4-Hydroxyphenylazobenzene-4-sulfonate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt0466	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-Hydroxypropylphenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
152.19	2	2	1.32				nt1402	None		Not checked

SMILES: OCCCc1ccc(O)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Hydroxypropylphenol]	2.98			25.0		Kenneth A. Connors 1995

4-I-Phenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C654	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-I-Phenol]	3.30		6.9	40.0	UV-vis spectroscopy	Yoshimi Sueishi 2003
[g-Cyclodextrin](0.5).[4-I-Phenol]	6.43		6.9	40.0	UV-vis spectroscopy	Yoshimi Sueishi 2003

4-I-phenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C725	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-I-phenol]	2.96		5.8	20.0	UV-vis spectroscopy; spectral displacement method	D. Landy 2000

4-Iodoaniline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
219.02	1	1	2.45				nt0484	None		Not checked

SMILES: Nc1ccc(I)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Iodoaniline]	3.45			25.0		Kenneth A. Connors 1995

4-Iodoaniline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
219.02	1	1	2.45				nt0485	None		Not checked

SMILES: Nc1ccc(I)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-Iodofluorobenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
222.00	0	0	2.43				nt0487	None		Not checked

SMILES: Fc1ccc(I)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Iodofluorobenzene]	2.99			25.0		Kenneth A. Connors 1995

4-Iodofluorobenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
222.00	0	0	2.43				nt1414	None		Not checked

SMILES: Fc1ccc(I)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Iodofluorobenzene]	2.71			25.0		Kenneth A. Connors 1995