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Formamide

Odors

No information available

Receptor Interaction

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

General Information

Common Name: Formamide
IUPAC Name: formamide
Molecular Formula: CH3NO
SMILES: C(=O)N
Inchi: 1S/CH3NO/c2-1-3/h1H,(H2,2,3)
Inchi Key: ZHNUHDYFZUAESO-UHFFFAOYSA-N
Cas No: 75-12-7

Functional Group

Drug Likeness

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

Cross References

PubChem: 713
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 45.04
Mass (g/mol) 45.021
Molar Refractivity 10.22
Net Charge
HBD 1
HBA 1
Rt Bonds 0
Rings
TPSA 43.09
Hetero Atoms
Heavy Atoms 3
Aromatic Heavy Atoms 0
Melting Point (°C) 2.55
Boiling Point (°C@760.00mm Hg) 210.5
Vapor Pressure (mmHg@25.00 °C) 0.06
Vapor Density (Air =1) 1.56
Fraction Csp3 0.00
LogP -1.51
iLOGP 0.24
XLOGP3 -0.85
WLOGP -0.90
MLOGP -1.13
ESOL Log S 0.42
ESOL Solubility (mg/ml) 117
ESOL Solubility (mol/l) 2.61
ESOL Class: esol_class Highly soluble
Ali Log S 0.43
Ali Solubility (mg/ml) 120
Ali Solubility (mol/l) 2.67
Ali Class Highly soluble
Silicos-IT LogSw 0.76
Silicos-IT Solubility (mg/ml) 260
Silicos-IT Solubility (mol/l) 5.77
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -7.18
Bioavailability Score 0.55
Caco2 1
Human Intestinal Absorption 1
Plasm Protein Binding 0.347
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 0.682
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