OpenMolDB

2-methylbenzoate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
135.14	1	0	0.36				NT_c0223	None		Not checked

SMILES: Cc1ccccc1C([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-methylbenzoate]	1.11	0.30	7.0	25.0	capillary electrophoresis and HPLC	David M. Goodall 1997

2-methylbenzoate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
135.14	1	0	0.36				NT_c0226	None		Not checked

SMILES: Cc1ccccc1C([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

2-methylnaphthoate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
185.20	1	0	1.51				NT_c0251	None		Not checked

SMILES: Cc1ccc2ccccc2c1C([O-])=O

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-methylnaphthoate]	2.30	1.30		steady-state fluorescence measurement	Francisco Mendicuti 1999
[a-Cyclodextrin](1).[2-methylnaphthoate]	2.30	1.30	25.0	steady-state fluorescence spectroscopy	Wayne L. Mattice 1998
[b-Cyclodextrin](1).[2-methylnaphthoate]	3.29	2.20		steady-state fluorescence measurement	Francisco Mendicuti 1999
[b-Cyclodextrin](1).[2-methylnaphthoate]	3.29	2.20	25.0	steady-state fluorescence spectroscopy	Wayne L. Mattice 1998
[g-Cyclodextrin](1).[2-methylnaphthoate]	2.33	1.98		steady-state fluorescence measurement	Francisco Mendicuti 1999
[g-Cyclodextrin](1).[2-methylnaphthoate]	2.41	2.30	5.0	steady-state fluorescence spectroscopy	Wayne L. Mattice 1998
[g-Cyclodextrin](1).[2-methylnaphthoate]	2.43	2.28	15.0	steady-state fluorescence spectroscopy	Wayne L. Mattice 1998
[g-Cyclodextrin](1).[2-methylnaphthoate]	2.32	2.00	25.0	steady-state fluorescence spectroscopy	Wayne L. Mattice 1998
[g-Cyclodextrin](1).[2-methylnaphthoate]	2.20	1.95	35.0	steady-state fluorescence spectroscopy	Wayne L. Mattice 1998
[g-Cyclodextrin](1).[2-methylnaphthoate]	2.23	1.78	45.0	steady-state fluorescence spectroscopy	Wayne L. Mattice 1998

2-methylnaphthoate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
185.20	1	0	1.51				JN_81	None		Not checked

SMILES: Cc1ccc2ccccc2c1C([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

2-naphtalenesulfonate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
207.23	2	0	2.82				SF_C614	None		Not checked

SMILES: O=S(C1=CC=C2C=CC=CC2=C1)([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-naphtalenesulfonate]	2.60		5.0	25.0	Capillary electrophoresis	Thomas Le Saux 2006
[b-Cyclodextrin](1).[2-naphtalenesulfonate]	2.40		5.0	25.0	Microchip electrophoresis	Thomas Le Saux 2006

2-naphthalenesul fonate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
207.23	2	0	2.82				SF_C1314	None		Not checked

SMILES: [O-][S](=O)(=O)c1ccc2ccccc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-naphthalenesul fonate]	2.56	0.01	7.2	25.0	Calorimetry	Yoshihisa Inoue 1993
[b-Cyclodextrin](1).[2-naphthalenesul fonate]	5.37	0.07	7.2	25.0	Calorimetry	Yoshihisa Inoue 1993
[g-Cyclodextrin](1).[2-naphthalenesul fonate]	1.58	0.03	7.2	25.0	Calorimetry	Yoshihisa Inoue 1993
[g-Cyclodextrin](2).[2-naphthalenesul fonate]	2.59	0.07	7.2	25.0	Calorimetry	Yoshihisa Inoue 1993

2-naphthalenesulfonate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
207.23	2	0	2.82				JN_446	None		Not checked

SMILES: [O-][S](=O)(=O)c1ccc2ccccc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-naphthalenesulfonate]	5.37	0.07	7.2	25.0	calorimetric titration	Yoshihisa Inoue 1993
[diethylenetriamino-BCD](1).[2-naphthalenesulfonate]	3.13	0.02	7.2	25.0	calorimetric titration	Yoshihisa Inoue 1993
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[2-naphthalenesulfonate]	2.94	0.03	7.2	25.0	calorimetric titration	Yoshihisa Inoue 1993
[mono-(6-amino-6-deoxy)-b-CD](1).[2-naphthalenesulfonate]	3.58	0.05	7.2	25.0	calorimetric titration	Yoshihisa Inoue 1993
[Bis(b-cyclodextrin)-Copper(II) Complex](1).[2-naphthalenesulfonate]	2.50	0.03	7.2	25.0	calorimetric titration	Yoshihisa Inoue 1993
[BCD derivate](1).[2-naphthalenesulfonate]	3.13	0.10	7.2	25.0	calorimetric titration	Yoshihisa Inoue 1993
[modified BCD (with bridging disulfonates)](1).[2-naphthalenesulfonate]	3.94	0.02	7.2	25.0	calorimetric titration	Yoshihisa Inoue 1993

2-naphthol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
144.17	1	1	2.55				JN_AM_1	None		Not checked

SMILES: Oc1ccc2ccccc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-naphthol]	2.79		11.0	25.0	Infrared spectroscopy	Christopher H. Evans 2005
[b-Cyclodextrin](1).[2-naphthol]	3.29			25.0	Infrared spectroscopy	Christopher H. Evans 2005

2-nitrophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
139.11	2	1	1.82				JN_170	None		Not checked

SMILES: Oc1ccccc1[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-nitrophenol]	2.16	1.00	3.5	25.0	absorption spectroscopy, NMR	Sanyo Hamai 1997

2-nitrophenolate ion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
138.10	1	0	2.26				JN_171	None		Not checked

SMILES: [O-]C1=CC=CC=C1[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-nitrophenolate ion]	2.00	0.70	10.28	25.0	absorption spectroscopy, NMR	Sanyo Hamai 1997

2-nonanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
144.25	1	1	2.73				VR_C151	None		Not checked

SMILES: CCCCCCCC(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-nonanol]	3.55	1.64		25.0	Surface tension	Yoshihiro Saito 2000

2-octanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
130.23	1	1	2.34				VR_C147	None		Not checked

SMILES: CCCCCCC(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-octanol]	3.30	1.36		25.0	Surface tension	Yoshihiro Saito 2000

2-pentanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
88.15	1	1	1.17				VR_C131	None		Not checked

SMILES: CCCC(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-pentanol]	2.03	0.90		25.0	Surface tension	Yoshihiro Saito 2000

2-pentyl alcohol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
88.15	1	1	1.17				JN_224	None		Not checked

SMILES: CCCC(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-pentyl alcohol]	1.49			25.0	spectrophotometry	Oswald S.Tee 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[2-pentyl alcohol]	1.38	0.13	11.6	25.0	inhibition kinetics method	Oswald S.Tee 1996

2-phenoxypropionic acid; enantiomer 2

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_49	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[2-phenoxypropionic acid; enantiomer 2]	1.49	0.40	7.0	23.0	capillary electrophoresis	Daniel W. Armstrong 1996