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Beryllium nitrate

Odors

No information available

Receptor Interaction

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

General Information

Common Name: Beryllium nitrate
IUPAC Name: beryllium;dinitrate
Molecular Formula: BeN2O6
SMILES: [Be+2].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]
Inchi: 1S/Be.2NO3/c;2*2-1(3)4/q+2;2*-1
Inchi Key: RFVVBBUVWAIIBT-UHFFFAOYSA-N
Cas No: 13597-99-4

Functional Group

Drug Likeness

Name Value
Lipinski Violations 2
Ghose Violations 3
Veber Violations 0
Egan Violations 1
Muegge Violations 3

Cross References

PubChem: 26126
OdoRactor: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 133.02
Mass (g/mol) 132.988
Molar Refractivity 25.06
Net Charge
HBD
HBA 0
Rt Bonds 0
Rings
TPSA 137.76
Hetero Atoms
Heavy Atoms 9
Aromatic Heavy Atoms 0
Melting Point (°C) 60
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.78
LogP
iLOGP 4.15
XLOGP3 7.97
WLOGP 9.72
MLOGP 7.89
ESOL Log S -8.91
ESOL Solubility (mg/ml) 0
ESOL Solubility (mol/l) 0
ESOL Class: esol_class Poorly soluble
Ali Log S -7.82
Ali Solubility (mg/ml) 0
Ali Solubility (mol/l) 0
Ali Class Poorly soluble
Silicos-IT LogSw -10.83
Silicos-IT Solubility (mg/ml) 0
Silicos-IT Solubility (mol/l) 0
Silicos-IT Class Insoluble

Pharmacokinetic profile

Name Value
GI Absorption Low
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -4.63
Bioavailability Score 0.17
Caco2 1
Human Intestinal Absorption 1
Plasm Protein Binding 0.381
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 1
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 1
Acute Oral Toxicity 3.453
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