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Ammonium bromide

Odors

No information available

Receptor Interaction

No receptors available
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2D Structure
3D Conformer
image of chemical
 

General Information

Common Name: Ammonium bromide
IUPAC Name: azanium;bromide
Molecular Formula: NH4Br
SMILES: [NH4+].[Br-]
Inchi: 1S/BrH.H3N/h1H;1H3
Inchi Key: SWLVFNYSXGMGBS-UHFFFAOYSA-N
Cas No: 12124-97-9

Functional Group

Drug Likeness

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

Cross References

PubChem: 25514
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 97.94
Mass (g/mol) 96.953
Molar Refractivity 14.91
Net Charge
HBD 2
HBA 3
Rt Bonds 0
Rings
TPSA 0.00
Hetero Atoms
Heavy Atoms 2
Aromatic Heavy Atoms 0
Melting Point (°C)
Boiling Point (°C@760.00mm Hg) 49.2
Vapor Pressure (mmHg@25.00 °C) 5990
Vapor Density (Air =1)
Fraction Csp3 0.11
LogP
iLOGP 0.81
XLOGP3 1.17
WLOGP 1.55
MLOGP 0.88
ESOL Log S -2.04
ESOL Solubility (mg/ml) 1.74
ESOL Solubility (mol/l) 0.009
ESOL Class: esol_class Soluble
Ali Log S -2.17
Ali Solubility (mg/ml) 1.29
Ali Solubility (mol/l) 0.01
Ali Class Soluble
Silicos-IT LogSw -3.04
Silicos-IT Solubility (mg/ml) 0.17
Silicos-IT Solubility (mol/l) 0
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 1
PgP Substrate 0
Log Kp (cm/s) -6.64
Bioavailability Score 0.55
Caco2 1
Human Intestinal Absorption 0
Plasm Protein Binding -0.098
CYP1A2 Inhibitor 1
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity -0.06
Carcinogenicity (Binary) 0
Carcinogenicity (Trinary) Non-required
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