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Ammonium nitrate

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: Ammonium nitrate
IUPAC Name: azanium;nitrate
Molecular Formula: NH4NO3
SMILES: [NH4+].[N+](=O)([O-])[O-]
Inchi: 1S/NO3.H3N/c2-1(3)4;/h;1H3/q-1;/p+1
Inchi Key: DVARTQFDIMZBAA-UHFFFAOYSA-O
Cas No: 6484-52-2

Functional Group

Drug Likeness

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

Cross References

PubChem: 22985
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 80.04
Mass (g/mol) 80.022
Molar Refractivity 18.51
Net Charge
HBD 2
HBA 4
Rt Bonds 0
Rings
TPSA 68.88
Hetero Atoms
Heavy Atoms 5
Aromatic Heavy Atoms 0
Melting Point (°C) 169.7
Boiling Point (°C@760.00mm Hg) 172.4
Vapor Pressure (mmHg@25.00 °C) 0.422
Vapor Density (Air =1)
Fraction Csp3 0.71
LogP
iLOGP 1.30
XLOGP3 -0.71
WLOGP -1.83
MLOGP -1.03
ESOL Log S -0.43
ESOL Solubility (mg/ml) 70.3
ESOL Solubility (mol/l) 0.374
ESOL Class: esol_class Very soluble
Ali Log S -0.52
Ali Solubility (mg/ml) 57.2
Ali Solubility (mol/l) 0.3
Ali Class Very soluble
Silicos-IT LogSw 0.41
Silicos-IT Solubility (mg/ml) 488
Silicos-IT Solubility (mol/l) 2.59
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -7.95
Bioavailability Score 0.55
Caco2 1
Human Intestinal Absorption 0
Plasm Protein Binding 0.397
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 3.294
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