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Mercuric oxide

Odors

No information available

Receptor Interaction

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

General Information

Common Name: Mercuric oxide
IUPAC Name: oxomercury
Molecular Formula: HgO
SMILES: O=[Hg]
Inchi: 1S/Hg.O
Inchi Key: UKWHYYKOEPRTIC-UHFFFAOYSA-N
Cas No: 21908-53-2

Functional Group

Drug Likeness

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

Cross References

PubChem: 30856
OdoRactor: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 216.59
Mass (g/mol) 217.966
Molar Refractivity 0.69
Net Charge
HBD
HBA 2
Rt Bonds 0
Rings
TPSA 17.07
Hetero Atoms
Heavy Atoms 2
Aromatic Heavy Atoms 0
Melting Point (°C) 500 (decomp)
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.50
LogP
iLOGP 2.55
XLOGP3 1.85
WLOGP 1.37
MLOGP 1.74
ESOL Log S -2.44
ESOL Solubility (mg/ml) 0.69
ESOL Solubility (mol/l) 0.004
ESOL Class: esol_class Soluble
Ali Log S -1.73
Ali Solubility (mg/ml) 3.54
Ali Solubility (mol/l) 0.02
Ali Class Very soluble
Silicos-IT LogSw -2.90
Silicos-IT Solubility (mg/ml) 0.24
Silicos-IT Solubility (mol/l) 0
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 1
PgP Substrate 0
Log Kp (cm/s) -6.15
Bioavailability Score 0.55
Caco2 1
Human Intestinal Absorption 1
Plasm Protein Binding 0.017
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 2.805
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