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Sodium metaborate

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 metaborate
IUPAC Name: sodium;oxido(oxo)borane
Molecular Formula: BNaO2
SMILES: B(=O)[O-].[Na+]
Inchi: 1S/BO2.Na/c2-1-3;/q-1;+1
Inchi Key: NVIFVTYDZMXWGX-UHFFFAOYSA-N
Cas No: 7775-19-1

Functional Group

Drug Likeness

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

Cross References

PubChem: 145326
OdoRactor: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 66.81
Mass (g/mol) 65.989
Molar Refractivity 8.52
Net Charge
HBD 3
HBA 6
Rt Bonds 0
Rings
TPSA 40.13
Hetero Atoms
Heavy Atoms 4
Aromatic Heavy Atoms 0
Melting Point (°C) 966
Boiling Point (°C@760.00mm Hg) 1434
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.36
LogP
iLOGP 1.58
XLOGP3 -2.74
WLOGP -0.31
MLOGP 0.27
ESOL Log S 0.44
ESOL Solubility (mg/ml) 818
ESOL Solubility (mol/l) 2.78
ESOL Class: esol_class Highly soluble
Ali Log S 0.80
Ali Solubility (mg/ml) 1850
Ali Solubility (mol/l) 6.29
Ali Class Highly soluble
Silicos-IT LogSw -2.39
Silicos-IT Solubility (mg/ml) 1.2
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) -10.04
Bioavailability Score 0.55
Caco2 1
Human Intestinal Absorption 1
Plasm Protein Binding 0.386
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 3.476
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