OpenMolDB

2,4-dichlorophenoxyacetic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
221.04	3	1	2.46				JN_39	None		Not checked

SMILES: OC(=O)COc1ccc(Cl)cc1Cl

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

2,4-dihydroxybenzoate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
153.11	3	2	-0.54				SF_C862	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2,4-dihydroxybenzoate]	2.95	2.04	7.0	25.0	Affinity capillary electrophoresis	Oliver Steinbock 2001

2,4-dimethyl benzoate ion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
149.17	1	0	0.67				JN_349	None		Not checked

SMILES: O=C([O-])C1=CC=C(C)C=C1C

Supramolecules

Name	log K	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2,4-dimethyl benzoate ion]	1.65	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[b-Cyclodextrin](1).[2,4-dimethyl benzoate ion]	1.62	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltodecaose](1).[2,4-dimethyl benzoate ion]	0.60	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltododecaose](1).[2,4-dimethyl benzoate ion]	0.85	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltononaose](1).[2,4-dimethyl benzoate ion]	0.48	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltotridecaose](1).[2,4-dimethyl benzoate ion]	0.78	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltoundecaose](1).[2,4-dimethyl benzoate ion]	0.70	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[g-Cyclodextrin](1).[2,4-dimethyl benzoate ion]	0.90	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998

2,4-dimethyl-3-pentanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
116.20	1	1	1.66				SF_C1133	None		Not checked

SMILES: CC(C)C(O)C(C)C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono[6-O-(1-benzotriazole)]-b-cyclodextrin](1).[2,4-dimethyl-3-pentanol]	2.33		7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[2,4-dimethyl-3-pentanol]	1.94		7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001

2,5-Dimethyl-4-hydroxyphenylazobenzene-4-carboxylic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt0311	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2,5-Dimethyl-4-hydroxyphenylazobenzene-4-carboxylic acid anion]	3.09			25.0		Kenneth A. Connors 1995

2,5-Hexanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
118.17	2	2	0.53				nt0428	None		Not checked

SMILES: CC(O)CCC(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2,5-Hexanediol]	1.41			25.0		Kenneth A. Connors 1995

2,5-dimethyl benzoate ion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
149.17	1	0	0.67				JN_350	None		Not checked

SMILES: O=C([O-])C1=CC(C)=CC=C1C

Supramolecules

Name	log K	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2,5-dimethyl benzoate ion]	1.61	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[b-Cyclodextrin](1).[2,5-dimethyl benzoate ion]	1.43	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltodecaose](1).[2,5-dimethyl benzoate ion]	0.70	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltododecaose](1).[2,5-dimethyl benzoate ion]	0.78	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltononaose](1).[2,5-dimethyl benzoate ion]	0.60	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltotridecaose](1).[2,5-dimethyl benzoate ion]	0.78	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltoundecaose](1).[2,5-dimethyl benzoate ion]	0.70	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[g-Cyclodextrin](1).[2,5-dimethyl benzoate ion]	0.78	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998

2,5-dimethyl-3-hexanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
130.23	1	1	2.05				SF_C1137	None		Not checked

SMILES: CC(C)CC(O)C(C)C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono[6-O-(1-benzotriazole)]-b-cyclodextrin](1).[2,5-dimethyl-3-hexanol]	2.34		7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[2,5-dimethyl-3-hexanol]	2.10		7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001

2,6-Diaminohexanoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
146.19	4	3	0.93				JN_19	None		Not checked

SMILES: NCCCCC(N)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2,6-Diaminohexanoic acid]	3.70	3.30	10.0	25.0	microcalorimetry	Giuseppina Castronuovo 1995
[a-Cyclodextrin](1).[2,6-Diaminohexanoic acid]	4.03	2.48	11.3	25.0	microcalorimetry	Giuseppina Castronuovo 1995
[b-Cyclodextrin](1).[2,6-Diaminohexanoic acid]	4.18	3.30	11.3	25.0	microcalorimetry	Giuseppina Castronuovo 1995

2,6-Dimethyl-4-nitrophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
167.16	2	1	2.44				nt0330	None		Not checked

SMILES: Cc1cc(cc(C)c1O)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2,6-Dimethyl-4-nitrophenol]	2.75			25.0		Kenneth A. Connors 1995

2,6-Dimethyl-4-nitrophenol anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
168.17	2	1	1.43				nt0331	None		Not checked

SMILES: O=[N+](C1=CC(C)C(O)C(C)=[C-]1)[O-]

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2,6-Dimethyl-4-nitrophenol anion]	3.03			25.0		Kenneth A. Connors 1995

2,6-Dimethyl-4-nitrophenol anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
168.17	2	1	1.43				nt0332	None		Not checked

SMILES: O=[N+](C1=CC(C)C(O)C(C)=[C-]1)[O-]

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

2,6-Dimethyl-4-nitrophenol anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
168.17	2	1	1.43				nt0333	None		Not checked

SMILES: O=[N+](C1=CC(C)C(O)C(C)=[C-]1)[O-]

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

2,6-dichlorophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
163.00	1	1	2.70				SF_C783	None		Not checked

SMILES: Oc1c(Cl)cccc1Cl

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2,6-dichlorophenol]	2.00	1.11	2.0	20.0	UV-vis spectroscopy	Miguel A. Garcia-Garibay 2001
[b-Cyclodextrin](1).[2,6-dichlorophenol]	1.70	0.78	4.5	20.0	UV-vis spectroscopy	Miguel A. Garcia-Garibay 2001

2,6-diisopropyl phenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
178.27	1	1	3.64				SF_C42	None		Not checked

SMILES: CC(C)c1cccc(C(C)C)c1O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[sulfobutylether-b-cyclodextrin](1).[2,6-diisopropyl phenol]	3.57		7.0	30.0	HPLC-method	M.K. Manoj Babu 2004
[sulfobutylether-b-cyclodextrin](1).[2,6-diisopropyl phenol]	3.57		7.0	37.0	HPLC-method	M.K. Manoj Babu 2004