OpenMolDB

1,3-Dicyanobenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
128.13	2	0	1.43				nt0269	None		Not checked

SMILES: N#Cc1cccc(c1)C#N

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,3-Dicyanobenzene]	1.29			25.0		Kenneth A. Connors 1995

1,3-Dihydroxybenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
110.11	2	2	1.10				nt1182	None		Not checked

SMILES: Oc1cccc(O)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[1,3-Dihydroxybenzene]	2.07			25.0		Kenneth A. Connors 1995

1,3-Dihydroxybenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
110.11	2	2	1.10				nt1183	None		Not checked

SMILES: Oc1cccc(O)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

1,3-Dihydroxybenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
110.11	2	2	1.10				nt1903	None		Not checked

SMILES: Oc1cccc(O)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[1,3-Dihydroxybenzene]	1.33			25.0		Kenneth A. Connors 1995

1,3-Dihydroxypropane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
76.09	2	2	-0.64				nt0292	None		Not checked

SMILES: OCCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,3-Dihydroxypropane]	0.34			25.0		Kenneth A. Connors 1995

1,3-Dinitrobenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
168.11	2	0	2.55				nt0342	None		Not checked

SMILES: [O-][N+](=O)c1cccc(c1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,3-Dinitrobenzene]	1.34			25.0		Kenneth A. Connors 1995

1,3-Propanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
76.09	2	2	-0.64				nt0798	None		Not checked

SMILES: OCCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,3-Propanediol]	0.63			25.0		Kenneth A. Connors 1995

1,3-bis(4-pyridyl)propane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
198.26	2	0	2.65				SF_C1304	None		Not checked

SMILES: C(Cc1ccncc1)Cc2ccncc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[1,3-bis(4-pyridyl)propane]	3.49	3.23	7.0	25.0	NMR spectroscopy	Dona1 H. Macartney 1993
[b-Cyclodextrin](2).[1,3-bis(4-pyridyl)propane]	1.48	1.87	7.0	25.0	NMR spectroscopy	Dona1 H. Macartney 1993

1,3-propanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
76.09	2	2	-0.64				SF_C1615	None		Not checked

SMILES: OCCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,3-propanediol]	0.63	-0.40	7.0	25.0	Calorimetry	Giuseppina Castronuovo 2002

1,3-propanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
76.09	2	2	-0.64				SF_C69	None		Not checked

SMILES: OCCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[1,3-propanediol]	0.24	-1.30	0.8	25.0	UV/VIS spectrometry	Jorge Pérez-Juste 2006

1,4,7,10-tetrathiacyclododecane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
240.47	4	0	2.93				SF_C1398	None		Not checked

SMILES: C1CSCCSCCSCCS1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[1,4,7,10-tetrathiacyclododecane]	1.32			25.0	NMR diffusion measurements	Yoram Cohen 1997

1,4-Butanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
90.12	2	2	-0.25				nt0117	None		Not checked

SMILES: OCCCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,4-Butanediol]	0.90			25.0		Kenneth A. Connors 1995

1,4-Diacetylbenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
162.19	2	0	2.09				nt0258	None		Not checked

SMILES: CC(=O)c1ccc(cc1)C(C)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,4-Diacetylbenzene]	1.01			25.0		Kenneth A. Connors 1995

1,4-Dibromobenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
235.90	0	0	3.21				nt0260	None		Not checked

SMILES: Brc1ccc(Br)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,4-Dibromobenzene]	2.96			25.0		Kenneth A. Connors 1995

1,4-Dibromobenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
235.90	0	0	3.21				nt0261	None		Not checked

SMILES: Brc1ccc(Br)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref