OpenMolDB

Bromine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt0102	None

SMILES: [Br]

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Bromobenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
157.01	0	0	2.45				nt0103	None		Not checked

SMILES: Brc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Bromobenzene]	2.71			25.0		Kenneth A. Connors 1995

Bromobenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
157.01	0	0	2.45				nt1024	None		Not checked

SMILES: Brc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Bromobenzene]	2.49			25.0		Kenneth A. Connors 1995

Bromobenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
157.01	0	0	2.45				nt1868	None		Not checked

SMILES: Brc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Bromobenzene]	1.59			25.0		Kenneth A. Connors 1995

Bromodiphenhydramine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
334.25	2	0	4.12				nt0110	None		Not checked

SMILES: CN(C)CCOC(c1ccccc1)c2ccc(Br)cc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Bromodiphenhydramine]	3.13			25.0		Kenneth A. Connors 1995

Bromodiphenhydramine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
334.25	2	0	4.12				nt1030	None		Not checked

SMILES: CN(C)CCOC(c1ccccc1)c2ccc(Br)cc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Bromodiphenhydramine]	3.33			25.0		Kenneth A. Connors 1995

Bromodiphenhydramine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
334.25	2	0	4.12				nt1869	None		Not checked

SMILES: CN(C)CCOC(c1ccccc1)c2ccc(Br)cc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Bromodiphenhydramine]	3.39			25.0		Kenneth A. Connors 1995

Bromodiphenhydramine HCl

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
370.71	2	1	4.92				SF_C1791	None		Not checked

SMILES: CN(C)CCOC(C1=CC=CC=C1)C2=CC=C(C=C2)Br.Cl

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Bromodiphenhydramine HCl ]	2.74	1.56	7.0	25.0	Calorimetry	J. Keith Guillory 1991
[b-Cyclodextrin](1).[Bromodiphenhydramine HCl ]	3.33	2.43	7.0	25.0	Calorimetry	Bradley D. Anderson 1993
[a-Cyclodextrin](1).[Bromodiphenhydramine HCl ]	3.13	1.95	7.0	25.0	Calorimetry	Bradley D. Anderson 1993
[g-Cyclodextrin](1).[Bromodiphenhydramine HCl ]	3.39	1.70	7.0	25.0	Calorimetry	Bradley D. Anderson 1993

Bropirimine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
266.09	3	2	2.36				nt1036	None		Not checked

SMILES: NC1=NC(=O)C(=C(N1)c2ccccc2)Br

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Bropirimine]	2.41			25.0		Kenneth A. Connors 1995

Bropirimine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
266.09	3	2	2.36				nt1037	None		Not checked

SMILES: NC1=NC(=O)C(=C(N1)c2ccccc2)Br

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Butabarbital

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
212.25	5	2	1.45				nt1038	None		Not checked

SMILES: CCC(C)C1(CC)C(=O)NC(=O)NC1=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Butabarbital]	2.95			25.0		Kenneth A. Connors 1995

Butabarbital anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1039	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Butabarbital anion]	2.19			25.0		Kenneth A. Connors 1995

Butethal

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
212.25	5	2	1.60				nt1046	None		Not checked

SMILES: CCCCC1(CC)C(=O)NC(=O)NC1=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Butethal]	2.94			25.0		Kenneth A. Connors 1995

Butyl 4-hydroxybenzoate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
194.23	3	1	2.35				nt0128	None		Not checked

SMILES: CCCCOC(=O)c1ccc(O)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Butyl 4-hydroxybenzoate]	2.67			25.0		Kenneth A. Connors 1995

Butyl sulfit ion (BuSO3-)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_232	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Butyl sulfit ion (BuSO3-)]	1.05	-0.42		25.0	spectrophotometry	Oswald S.Tee 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Butyl sulfit ion (BuSO3-)]	0.98	-1.00	11.6	25.0	inhibition kinetics method	Oswald S.Tee 1996