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Sodium azide

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: Sodium azide
IUPAC Name: sodium;azide
Molecular Formula: NaN3
SMILES: [N-]=[N+]=[N-].[Na+]
Inchi: 1S/N3.Na/c1-3-2;/q-1;+1
Inchi Key: PXIPVTKHYLBLMZ-UHFFFAOYSA-N
Cas No: 26628-22-8

Functional Group

Drug Likeness

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

Cross References

PubChem: 33557
OdoRactor: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 65.01
Mass (g/mol) 64.999
Molar Refractivity 6.81
Net Charge
HBD
HBA 7
Rt Bonds 0
Rings
TPSA 37.39
Hetero Atoms
Heavy Atoms 4
Aromatic Heavy Atoms 0
Melting Point (°C) 275 (decomp)
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.57
LogP
iLOGP 2.52
XLOGP3 5.19
WLOGP 5.24
MLOGP 1.96
ESOL Log S -4.92
ESOL Solubility (mg/ml) 0.004
ESOL Solubility (mol/l) 0
ESOL Class: esol_class Moderately soluble
Ali Log S -6.93
Ali Solubility (mg/ml) 0
Ali Solubility (mol/l) 0
Ali Class Poorly soluble
Silicos-IT LogSw -3.54
Silicos-IT Solubility (mg/ml) 0.1
Silicos-IT Solubility (mol/l) 0
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -4.73
Bioavailability Score 0.55
Caco2 1
Human Intestinal Absorption 1
Plasm Protein Binding 0.221
CYP1A2 Inhibitor 1
CYP2C19 Inhibitor 1
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 1
CYP3A4 inhibitor 1
Ames mutagenesis 1
Acute Oral Toxicity 4.298
Carcinogenicity (Binary) 1
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