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Potassium arsenate

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: Potassium arsenate
IUPAC Name: potassium;dihydrogen arsorate
Molecular Formula: KH2AsO4
SMILES: O[As](=O)(O)[O-].[K+]
Inchi: 1S/AsH3O4.K/c2-1(3,4)5;/h(H3,2,3,4,5);/q;+1/p-1
Inchi Key: GVPLVOGUVQAPNJ-UHFFFAOYSA-M
Cas No: 7784-41-0

Functional Group

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 4
Veber Violations 0
Egan Violations 0
Muegge Violations 2

Cross References

PubChem: 516881
OdoRactor: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 100.12
Mass (g/mol) 179.881
Molar Refractivity 8.71
Net Charge
HBD 1
HBA 3
Rt Bonds 0
Rings
TPSA 60.36
Hetero Atoms
Heavy Atoms 5
Aromatic Heavy Atoms 0
Melting Point (°C) 288
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.00
LogP
iLOGP 0.00
XLOGP3 -0.13
WLOGP -1.11
MLOGP -1.60
ESOL Log S -0.38
ESOL Solubility (mg/ml) 41.8
ESOL Solubility (mol/l) 0.418
ESOL Class: esol_class Very soluble
Ali Log S -0.68
Ali Solubility (mg/ml) 20.7
Ali Solubility (mol/l) 0.21
Ali Class Very soluble
Silicos-IT LogSw 1.49
Silicos-IT Solubility (mg/ml) 3090
Silicos-IT Solubility (mol/l) 30.8
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -7.00
Bioavailability Score 0.85
Caco2 1
Human Intestinal Absorption 1
Plasm Protein Binding 1.077
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 3.14
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