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Potassium bromide

Odors

No information available

Receptor Interaction

No receptors available
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2D Structure
3D Conformer
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General Information

Common Name: Potassium bromide
IUPAC Name: potassium;bromide
Molecular Formula: KBr
SMILES: [K+].[Br-]
Inchi: 1S/BrH.K/h1H;/q;+1/p-1
Inchi Key: IOLCXVTUBQKXJR-UHFFFAOYSA-M
Cas No: 7758-02--3

Functional Group

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 0
Veber Violations 0
Egan Violations 0
Muegge Violations 1

Cross References

PubChem: 253877
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 119.00
Mass (g/mol) 117.882
Molar Refractivity 8.93
Net Charge
HBD 4
HBA 4
Rt Bonds 0
Rings
TPSA 0.00
Hetero Atoms
Heavy Atoms 2
Aromatic Heavy Atoms 0
Melting Point (°C) 734
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.33
LogP
iLOGP 1.50
XLOGP3 -1.37
WLOGP 0.03
MLOGP 0.07
ESOL Log S -0.26
ESOL Solubility (mg/ml) 102
ESOL Solubility (mol/l) 0.554
ESOL Class: esol_class Very soluble
Ali Log S 0.34
Ali Solubility (mg/ml) 404
Ali Solubility (mol/l) 2.2
Ali Class Highly soluble
Silicos-IT LogSw -1.56
Silicos-IT Solubility (mg/ml) 4.99
Silicos-IT Solubility (mol/l) 0.03
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -8.39
Bioavailability Score 0.55
Caco2 1
Human Intestinal Absorption 1
Plasm Protein Binding -0.11
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity -0.342
Carcinogenicity (Binary) 1
Carcinogenicity (Trinary) Warning
Eye Irritation 1
Hepatotoxicity 0
Androgen Receptor Binding 0
Aromatase Binding 0
Estrogen Receptor Binding 0
Glucocorticoid Receptor Binding 0
Thyroid Receptor Binding 0
BRCP inhibitor 0
BSEP inhibitor 0
OATP1B1 inhibitor 1
OATP1B3 inhibitor 1
OATP2B1 inhibitor 0
OCT1 inhibitor 0
OCT2 inhibitor 0