(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-(2-hydroxyethyl)prop-2-enamide
Molecular Formula : C16H13N2O3Cl | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-(2-hydroxyethyl)prop-2-enamide is a drug-like molecule.
MolName : (E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-(2-hydroxyethyl)prop-2-enamide |
MolecularFormula : C16H13N2O3Cl |
Smiles : N#C/C(/C(NCCO)=O)=C\c1ccc(-c(cc2)ccc2Cl)o1 |
InChI : InChI=1S/C16H13ClN2O3/c17-13-3-1-11(2-4-13)15-6-5-14(22-15)9-12(10-18)16(21)19-7-8-20/h1-6,9,20H,7-8H2,(H,19,21) |
InChIK : SYWNOQDDLUDTJH-UHFFFAOYSA-N |
TotalMolweight : 316.743 |
Molweight : 316.743 |
MonoisotopicMass : 316.06147 |
CLogP : 2.3041 |
CLogS : -4.252 |
H Acceptors : 5 |
H Donors : 2 |
TotalSurfaceArea : 247.63 |
Relative PSA : 0.26358 |
PolarSurfaceArea : 86.26 |
Druglikeness : -0.19838 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : twice activated DB |
Shape Index : 0.68182 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 5 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 3 |
Symmetricatoms : 2 |
Amides : 1 |
StereoCon : |