OpenMolDB

4-Dodecylbenzenesulfonate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1255	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Dodecylbenzenesulfonate anion]	3.85			25.0		Kenneth A. Connors 1995

4-Et-PBNOH

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VR_C174	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[4-Et-PBNOH]	2.31	1.18		27.0	NMR	Jean-Pierre Finet, Paul Tordo 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[4-Et-PBNOH]	2.43	1.08		27.0	NMR	Jean-Pierre Finet, Paul Tordo 2005

4-Et-PBNOH

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_393	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Et-PBNOH]	3.03				NMR spectroscopy	Paul Tordo 2004

4-Ethylphenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
122.16	1	1	1.95				nt1309	None		Not checked

SMILES: CCc1ccc(O)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Ethylphenol]	2.69			25.0		Kenneth A. Connors 1995

4-F-phenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C722	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-F-phenol]	2.02		5.8	20.0	UV-vis spectroscopy; spectral displacement method	D. Landy 2000
[b-Cyclodextrin](1).[4-F-phenol]	2.03	0.85	5.8	20.0	UV-vis spectroscopy	D. Landy 2000
[b-Cyclodextrin](1).[4-F-phenol]	2.02	1.40	7.0	20.0	NMR spectroscopy	D. Landy 2000

4-FluoroBenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
140.11	2	1	1.52				nt0404	None		Not checked

SMILES: OC(=O)c1ccc(F)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-FluoroBenzoic acid]	3.00			25.0		Kenneth A. Connors 1995

4-FluoroBenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
140.11	2	1	1.52				nt0405	None		Not checked

SMILES: OC(=O)c1ccc(F)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-FluoroBenzoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
139.10	1	0	0.19				nt0406	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-FluoroBenzoic acid anion]	1.15			25.0		Kenneth A. Connors 1995

4-Fluoroanisole

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
126.13	1	0	1.83				nt0401	None		Not checked

SMILES: COc1ccc(F)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Fluoroanisole]	1.77			25.0		Kenneth A. Connors 1995

4-Fluoroanisole

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
126.13	1	0	1.83				nt1335	None		Not checked

SMILES: COc1ccc(F)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Fluoroanisole]	1.04			25.0		Kenneth A. Connors 1995

4-Fluorophenol anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
113.11	1	1	0.96				nt0407	None		Not checked

SMILES: FC1=CCC(O)[C-]=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Fluorophenol anion]	1.19			25.0		Kenneth A. Connors 1995

4-Heptanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
116.20	1	1	1.95				nt0422	None		Not checked

SMILES: CCCC(O)CCC

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Heptanol]	2.27			25.0		Kenneth A. Connors 1995

4-Hydroxybenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
138.12	3	2	1.09				nt0450	None		Not checked

SMILES: OC(=O)c1ccc(O)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Hydroxybenzoic acid]	3.05			25.0		Kenneth A. Connors 1995

4-Hydroxybenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
138.12	3	2	1.09				nt0451	None		Not checked

SMILES: OC(=O)c1ccc(O)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-Hydroxybenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
138.12	3	2	1.09				nt0452	None		Not checked

SMILES: OC(=O)c1ccc(O)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref