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Carbon monoxide

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: Carbon monoxide
IUPAC Name: carbon monoxide
Molecular Formula: CO
SMILES: [C-]#[O+]
Inchi: 1S/CO/c1-2
Inchi Key: UGFAIRIUMAVXCW-UHFFFAOYSA-N
Cas No: 630-08-0

Functional Group

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 3
Veber Violations 0
Egan Violations 0
Muegge Violations 3

Cross References

PubChem: 281
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 28.01
Mass (g/mol) 27.995
Molar Refractivity 4.07
Net Charge
HBD
HBA 1
Rt Bonds 0
Rings
TPSA 0.00
Hetero Atoms 0
Heavy Atoms 2
Aromatic Heavy Atoms 0
Melting Point (°C)
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.00
LogP 0.7
iLOGP 0.00
XLOGP3 0.67
WLOGP -0.04
MLOGP -1.01
ESOL Log S -0.44
ESOL Solubility (mg/ml) 10.3
ESOL Solubility (mol/l) 0.367
ESOL Class: esol_class Very soluble
Ali Log S -0.25
Ali Solubility (mg/ml) 15.9
Ali Solubility (mol/l) 0.57
Ali Class Very soluble
Silicos-IT LogSw 0.33
Silicos-IT Solubility (mg/ml) 59.9
Silicos-IT Solubility (mol/l) 2.14
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption Low
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -6.00
Bioavailability Score 0.55
Caco2 1
Human Intestinal Absorption 1
Plasm Protein Binding 0.074
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 2.238
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