OpenMolDB

4-(3-Isopropyl-4-hydroxyphenylazo)benzenesulfonate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
319.36	5	1	4.92				nt1417	None		Not checked

SMILES: CC(C)c1cc(ccc1O)N=Nc2ccc(cc2)[S]([O-])(=O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-(3-Isopropyl-4-hydroxyphenylazo)benzenesulfonate]	3.23			25.0		Kenneth A. Connors 1995

4-(3-Isopropyl-4-hydroxyphenylazo)benzenesulfonate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1416	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-(3-Isopropyl-4-hydroxyphenylazo)benzenesulfonate anion]	3.40			25.0		Kenneth A. Connors 1995

4-(3-Methyl-4-hydroxyphenylazo)benzenesulfonate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
291.30	5	1	4.10				nt1492	None		Not checked

SMILES: Cc1cc(ccc1O)N=Nc2ccc(cc2)[S]([O-])(=O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-(3-Methyl-4-hydroxyphenylazo)benzenesulfonate]	3.18			25.0		Kenneth A. Connors 1995

4-(3-Methyl-4-hydroxyphenylazo)benzenesulfonate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1491	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-(3-Methyl-4-hydroxyphenylazo)benzenesulfonate anion]	3.30			25.0		Kenneth A. Connors 1995

4-(3-n-Propyl-4-hydroxyphenylazo)benzenesulfonate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
319.36	5	1	4.75				nt1746	None		Not checked

SMILES: CCCc1cc(ccc1O)N=Nc2ccc(cc2)[S]([O-])(=O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-(3-n-Propyl-4-hydroxyphenylazo)benzenesulfonate]	3.46			25.0		Kenneth A. Connors 1995

4-(3-n-Propyl-4-hydroxyphenylazo)benzenesulfonate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1745	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-(3-n-Propyl-4-hydroxyphenylazo)benzenesulfonate anion]	3.75			25.0		Kenneth A. Connors 1995

4-(4-Ethylbenzoyl)benzoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
253.27	2	0	1.84				nt1275	None		Not checked

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

Supramolecules

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

4-(4-Hydroxy-1-naphthylazo)benzenesulfonate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1395	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-(4-Hydroxy-1-naphthylazo)benzenesulfonate anion]	2.61			25.0		Kenneth A. Connors 1995

4-(4-Hydroxy-1-naphthylazo)naphthalene-1-sulfonate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1396	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-(4-Hydroxy-1-naphthylazo)naphthalene-1-sulfonate anion]	3.40			25.0		Kenneth A. Connors 1995

4-(4-Hydroxyphenylazo)benzenesulfonate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
277.28	5	1	3.79				nt1398	None		Not checked

SMILES: Oc1ccc(cc1)N=Nc2ccc(cc2)[S]([O-])(=O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-(4-Hydroxyphenylazo)benzenesulfonate]	3.20			25.0		Kenneth A. Connors 1995

4-(4-Hydroxyphenylazo)benzenesulfonate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1397	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-(4-Hydroxyphenylazo)benzenesulfonate anion]	3.30			25.0		Kenneth A. Connors 1995

4-(4-Methylbenzoyl)benzoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
239.25	2	0	1.59				nt1473	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-(4-Methylbenzoyl)benzoic acid anion]	2.96			25.0		Kenneth A. Connors 1995

4-(CH3)2CH-Phenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C655	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-(CH3)2CH-Phenol]	3.52		6.9	40.0	UV-vis spectroscopy	Yoshimi Sueishi 2003
[g-Cyclodextrin](1).[4-(CH3)2CH-Phenol]	3.23		6.9	40.0	UV-vis spectroscopy	Yoshimi Sueishi 2003

4-(Methylthio)phenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
140.20	2	1	2.11				SF_C701	None		Not checked

SMILES: CSc1ccc(O)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[4-(Methylthio)phenol]	2.56	1.70	2.0	25.0	UV-vis spectroscopy	Tetsuro Majima 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](2).[4-(Methylthio)phenol]	2.18	1.60	2.0	25.0	UV-vis spectroscopy	Tetsuro Majima 2005

4-(Methylthio)phenylacetic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
182.24	3	1	2.04				SF_C704	None		Not checked

SMILES: CSc1ccc(CC(O)=O)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[4-(Methylthio)phenylacetic acid]	2.51	1.60	2.0	25.0	UV-vis spectroscopy	Tetsuro Majima 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](2).[4-(Methylthio)phenylacetic acid]	2.08	1.60	2.0	25.0	UV-vis spectroscopy	Tetsuro Majima 2005