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Sodium bromate

Odors

No information available

Receptor Interaction

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

General Information

Common Name: Sodium bromate
IUPAC Name: sodium;bromate
Molecular Formula: NaBrO3
SMILES: [O-]Br(=O)=O.[Na+]
Inchi: 1S/BrHO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1
Inchi Key: XUXNAKZDHHEHPC-UHFFFAOYSA-M
Cas No: 7789-38-0

Functional Group

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 2
Veber Violations 0
Egan Violations 0
Muegge Violations 1

Cross References

PubChem: 23668195
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 150.89
Mass (g/mol) 149.893
Molar Refractivity 10.99
Net Charge
HBD 3
HBA 6
Rt Bonds 0
Rings
TPSA 57.20
Hetero Atoms
Heavy Atoms 5
Aromatic Heavy Atoms 0
Melting Point (°C) 381
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.50
LogP
iLOGP -9.01
XLOGP3 -1.64
WLOGP -1.53
MLOGP -2.60
ESOL Log S 0.10
ESOL Solubility (mg/ml) 248
ESOL Solubility (mol/l) 1.25
ESOL Class: esol_class Highly soluble
Ali Log S -0.16
Ali Solubility (mg/ml) 137
Ali Solubility (mol/l) 0.69
Ali Class Very soluble
Silicos-IT LogSw 1.49
Silicos-IT Solubility (mg/ml) 6140
Silicos-IT Solubility (mol/l) 31
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -8.67
Bioavailability Score 0.56
Caco2 1
Human Intestinal Absorption 1
Plasm Protein Binding 0.546
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 3.418
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