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Sodium nitrate

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 nitrate
IUPAC Name: sodium;nitrate
Molecular Formula: NaNO3
SMILES: [N+](=O)([O-])[O-].[Na+]
Inchi: 1S/NO3.Na/c2-1(3)4;/q-1;+1
Inchi Key: VWDWKYIASSYTQR-UHFFFAOYSA-N
Cas No: 7631-99-4

Functional Group

Drug Likeness

Name Value
Lipinski Violations 1
Ghose Violations 1
Veber Violations 1
Egan Violations 1
Muegge Violations 3

Cross References

PubChem: 24268
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 84.99
Mass (g/mol) 84.978
Molar Refractivity 12.53
Net Charge
HBD 6
HBA 8
Rt Bonds 0
Rings
TPSA 68.88
Hetero Atoms
Heavy Atoms 5
Aromatic Heavy Atoms 0
Melting Point (°C) 306.00 
Boiling Point (°C@760.00mm Hg) 83.00 
Vapor Pressure (mmHg@25.00 °C) 49.8
Vapor Density (Air =1)
Fraction Csp3 0.44
LogP
iLOGP 1.17
XLOGP3 -2.55
WLOGP -0.58
MLOGP -1.59
ESOL Log S -0.57
ESOL Solubility (mg/ml) 109
ESOL Solubility (mol/l) 0.27
ESOL Class: esol_class Very soluble
Ali Log S -0.39
Ali Solubility (mg/ml) 166
Ali Solubility (mol/l) 0.41
Ali Class Very soluble
Silicos-IT LogSw -2.21
Silicos-IT Solubility (mg/ml) 2.48
Silicos-IT Solubility (mol/l) 0.01
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption Low
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -10.57
Bioavailability Score 0.55
Caco2 1
Human Intestinal Absorption 1
Plasm Protein Binding 0.312
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 3.257
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