OpenMolDB

1,7-heptanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
132.20	2	2	0.92				SF_C1609	None		Not checked

SMILES: OCCCCCCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,7-heptanediol ]	2.51	1.43		25.0	Calorimetry	Giuseppina Castronuovo 2002
[a-Cyclodextrin](1).[1,7-heptanediol ]	2.44	0.70	7.0	25.0	Calorimetry	Giuseppina Castronuovo 2002

1,8-Dihydroxyoctane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
146.23	2	2	1.31				nt0290	None		Not checked

SMILES: OCCCCCCCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,8-Dihydroxyoctane]	3.08			25.0		Kenneth A. Connors 1995

1,8-Dimethylnaphthalene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
156.22	0	0	3.46				nt0329	None		Not checked

SMILES: Cc1cccc2cccc(C)c12

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,8-Dimethylnaphthalene]	1.30			25.0		Kenneth A. Connors 1995

1,8-Dimethylnaphthalene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
156.22	0	0	3.46				nt1218	None		Not checked

SMILES: Cc1cccc2cccc(C)c12

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[1,8-Dimethylnaphthalene]	1.23			25.0		Kenneth A. Connors 1995

1,8-Dimethylnaphthalene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
156.22	0	0	3.46				nt1907	None		Not checked

SMILES: Cc1cccc2cccc(C)c12

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[1,8-Dimethylnaphthalene]	2.23			25.0		Kenneth A. Connors 1995

1,8-N-butylnaphthalimide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					NT_c0221	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[1,8-N-butylnaphthalimide]	2.74		7.0	25.0	UV and fluorescence spectroscopy	Mario J. Politi 1997
[g-Cyclodextrin](1).[1,8-N-butylnaphthalimide]	1.85		7.0	25.0	UV and fluorescence spectroscopy	Mario J. Politi 1997

1,8-cineole

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
154.25	1	0	2.74				NT_a0063	None		Not checked

SMILES: CC12CCC(CC1)C(C)(C)O2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](2).[1,8-cineole]	2.29			20.0	phase solubility	Schmidt, P. C. 2003

1,8-diaminooctane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
144.26	2	2	2.64				NT_a0056	None		Not checked

SMILES: NCCCCCCCCN

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](0.8).[1,8-diaminooctane]	2.83	0.21		25.0	NMR diffusion measurements	Cohen, Yoram 2002

1,8-diaminooctane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
144.26	2	2	2.64				SF_C36	None		Not checked

SMILES: NCCCCCCCCN

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,8-diaminooctane]	2.83	0.21	7.0	25.0	NMR diffusion measurements	Cohen, Yoram 2002
[a-Cyclodextrin](1).[1,8-diaminooctane]	1.75	0.18		25.0	NMR diffusion measurements	Cohen, Yoram 2002

1,8-diaminooctane hydrochloride

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
180.72	2	3	3.45				NT_a0059	None		Not checked

SMILES: Cl.NCCCCCCCCN

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1.1).[1,8-diaminooctane hydrochloride]	1.87	0.15		25.0	NMR diffusion measurements	Cohen, Yoram 2002

1,8-diaminooctane*HCl

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
180.72	3	3	3.45				SF_C39	None		Not checked

SMILES: NCCCCCCCCN.[H]Cl

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,8-diaminooctane*HCl]	1.87	0.15	7.0	25.0	NMR diffusion measurements	Cohen, Yoram 2002

1,8-naphthalimide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
197.19	3	1	2.05				NT_c0220	None		Not checked

SMILES: O=C1NC(=O)c2cccc3cccc1c23

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[1,8-naphthalimide]	2.15		7.0	25.0	UV and fluorescence spectroscopy	Mario J. Politi 1997
[g-Cyclodextrin](1).[1,8-naphthalimide]	1.78		7.0	25.0	UV and fluorescence spectroscopy	Mario J. Politi 1997

1,8-octanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
146.23	2	2	1.31				SF_C1610	None		Not checked

SMILES: OCCCCCCCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,8-octanediol]	2.20	0.78		25.0	Calorimetry	Giuseppina Castronuovo 2002
[a-Cyclodextrin](1).[1,8-octanediol]	3.07	2.24	7.0	25.0	Calorimetry	Giuseppina Castronuovo 2002

1,9-Dihydroxynonane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
160.25	2	2	1.70				nt0289	None		Not checked

SMILES: OCCCCCCCCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,9-Dihydroxynonane]	3.55			25.0		Kenneth A. Connors 1995

1,9-nonanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
160.25	2	2	1.70				SF_C1611	None		Not checked

SMILES: OCCCCCCCCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,9-nonanediol ]	2.58	1.64		25.0	Calorimetry	Giuseppina Castronuovo 2002
[a-Cyclodextrin](1).[1,9-nonanediol ]	2.93	1.71	7.0	25.0	Calorimetry	Giuseppina Castronuovo 2002