OpenMolDB

Dioxane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
88.11	2	0	0.03				nt0345	None		Not checked

SMILES: C1COCCO1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Dioxane]	0.64			25.0		Kenneth A. Connors 1995

Diphenhydramine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
255.35	2	0	3.35				nt0346	None		Not checked

SMILES: CN(C)CCOC(c1ccccc1)c2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Diphenhydramine]	1.65			25.0		Kenneth A. Connors 1995

Diphenhydramine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
255.35	2	0	3.35				nt0347	None		Not checked

SMILES: CN(C)CCOC(c1ccccc1)c2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Diphenhydramine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
255.35	2	0	3.35				nt1243	None		Not checked

SMILES: CN(C)CCOC(c1ccccc1)c2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Diphenhydramine]	3.11			25.0		Kenneth A. Connors 1995

Diphenhydramine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
255.35	2	0	3.35				nt1244	None		Not checked

SMILES: CN(C)CCOC(c1ccccc1)c2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Diphenhydramine HCI

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1789	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Diphenhydramine HCI]	2.39	1.21	7.0	25.0	Calorimetry	J. Keith Guillory 1991
[b-Cyclodextrin](1).[Diphenhydramine HCI]	3.06	1.59	7.0	25.0	Calorimetry	Bradley D. Anderson 1993
[a-Cyclodextrin](1).[Diphenhydramine HCI]	1.65	-0.22	7.0	25.0	Calorimetry	Bradley D. Anderson 1993

Diphenidol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
309.45	2	1	4.13				nt0348	None		Not checked

SMILES: OC(CCCN1CCCCC1)(c2ccccc2)c3ccccc3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Diphenidol]	1.64			25.0		Kenneth A. Connors 1995

Diphenidol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
309.45	2	1	4.13				nt1245	None		Not checked

SMILES: OC(CCCN1CCCCC1)(c2ccccc2)c3ccccc3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Diphenidol]	2.97			25.0		Kenneth A. Connors 1995

Diphenidol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
309.45	2	1	4.13				nt1908	None		Not checked

SMILES: OC(CCCN1CCCCC1)(c2ccccc2)c3ccccc3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Diphenidol]	2.57			25.0		Kenneth A. Connors 1995

Diphenidol HCl

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
345.91	2	1	1.13				SF_C1788	None		Not checked

SMILES: [H+].[Cl-].OC(CCCN1CCCCC1)(c2ccccc2)c3ccccc3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Diphenidol HCl]	2.20	0.85	7.0	25.0	Calorimetry	J. Keith Guillory 1991
[b-Cyclodextrin](1).[Diphenidol HCl]	2.97	1.94	7.0	25.0	Calorimetry	Bradley D. Anderson 1993
[a-Cyclodextrin](1).[Diphenidol HCl]	1.64	-0.10	7.0	25.0	Calorimetry	Bradley D. Anderson 1993
[g-Cyclodextrin](1).[Diphenidol HCl]	2.57	1.02	7.0	25.0	Calorimetry	Bradley D. Anderson 1993

Diphenylamine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
169.22	1	1	3.50				nt1246	None		Not checked

SMILES: N(c1ccccc1)c2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Diphenylamine]	2.90			25.0		Kenneth A. Connors 1995

Diphenylamine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
169.22	1	1	3.50				nt1247	None		Not checked

SMILES: N(c1ccccc1)c2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Diphenylhydantoin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
252.27	4	0	2.79				nt0349	None		Not checked

SMILES: O=C1CN(C(=O)N1c2ccccc2)c3ccccc3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Diphenylhydantoin]	2.04			25.0		Kenneth A. Connors 1995

Diphenylhydantoin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
252.27	4	0	2.79				nt1248	None		Not checked

SMILES: O=C1CN(C(=O)N1c2ccccc2)c3ccccc3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Diphenylhydantoin]	2.93			25.0		Kenneth A. Connors 1995

Diphenylhydantoin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
252.27	4	0	2.79				nt1249	None		Not checked

SMILES: O=C1CN(C(=O)N1c2ccccc2)c3ccccc3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref