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Selenious acid

Odors

No information available

Receptor Interaction

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

General Information

Common Name: Selenious acid
IUPAC Name: selenous acid
Molecular Formula: H2SeO3
SMILES: O[Se](=O)O
Inchi: 1S/H2O3Se/c1-4(2)3/h(H2,1,2,3)
Inchi Key: MCAHWIHFGHIESP-UHFFFAOYSA-N
Cas No: 7783-00-8

Functional Group

Drug Likeness

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

Cross References

PubChem: 1091
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 128.97
Mass (g/mol) 129.917
Molar Refractivity 10.31
Net Charge
HBD 2
HBA 5
Rt Bonds 0
Rings
TPSA 57.53
Hetero Atoms
Heavy Atoms 4
Aromatic Heavy Atoms 0
Melting Point (°C) 70.00 
Boiling Point (°C@760.00mm Hg) 176.00 to 177.00
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.00
LogP
iLOGP 0.26
XLOGP3 0.24
WLOGP 0.48
MLOGP -1.47
ESOL Log S -1.27
ESOL Solubility (mg/ml) 9.07
ESOL Solubility (mol/l) 0.054
ESOL Class: esol_class Very soluble
Ali Log S -1.64
Ali Solubility (mg/ml) 3.85
Ali Solubility (mol/l) 0.02
Ali Class Very soluble
Silicos-IT LogSw -0.77
Silicos-IT Solubility (mg/ml) 28.7
Silicos-IT Solubility (mol/l) 0.17
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -7.15
Bioavailability Score 0.56
Caco2 0
Human Intestinal Absorption 1
Plasm Protein Binding 0.71
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 1.092
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