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Chromium(III) oxide

Odors

No information available

Receptor Interaction

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

General Information

Common Name: Chromium(III) oxide
IUPAC Name: oxo(oxochromiooxy)chromium
Molecular Formula: Cr2O3
SMILES: O=[Cr]O[Cr]=O
Inchi: 1S/2Cr.3O
Inchi Key: QDOXWKRWXJOMAK-UHFFFAOYSA-N
Cas No: 1308-38-9 

Functional Group

Drug Likeness

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

Cross References

PubChem: 517277
OdoRactor: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 372.24
Mass (g/mol) 151.866
Molar Refractivity 65.27
Net Charge
HBD 4
HBA 12
Rt Bonds 11
Rings
TPSA 179.80
Hetero Atoms
Heavy Atoms 24
Aromatic Heavy Atoms 0
Melting Point (°C) 2435
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.60
LogP
iLOGP -30.83
XLOGP3 -6.83
WLOGP -4.87
MLOGP -3.30
ESOL Log S 2.88
ESOL Solubility (mg/ml) 283000
ESOL Solubility (mol/l) 760
ESOL Class: esol_class Highly soluble
Ali Log S 3.76
Ali Solubility (mg/ml) 2140000
Ali Solubility (mol/l) 5760
Ali Class Highly soluble
Silicos-IT LogSw 1.53
Silicos-IT Solubility (mg/ml) 12600
Silicos-IT Solubility (mol/l) 33.9
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption Low
BBB Permeable 0
PgP Substrate 1
Log Kp (cm/s) -13.42
Bioavailability Score 0.55
Caco2 0
Human Intestinal Absorption 1
Plasm Protein Binding 0.349
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 2.174
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