4-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]benzamide
Molecular Formula : C16H12N2O2Cl2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |4-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]benzamide is a drug-like molecule.
MolName : 4-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]benzamide |
MolecularFormula : C16H12N2O2Cl2 |
Smiles : NC(c(cc1)ccc1NC(/C=C/c(cc1)cc(Cl)c1Cl)=O)=O |
InChI : InChI=1S/C16H12Cl2N2O2/c17-13-7-1-10(9-14(13)18)2-8-15(21)20-12-5-3-11(4-6-12)16(19)22/h1-9H,(H2,19,22)(H,20,21) |
InChIK : JWSSZHBAIBXSLV-UHFFFAOYSA-N |
TotalMolweight : 335.189 |
Molweight : 335.189 |
MonoisotopicMass : 334.027582 |
CLogP : 3.4356 |
CLogS : -5.059 |
H Acceptors : 4 |
H Donors : 2 |
TotalSurfaceArea : 245.84 |
Relative PSA : 0.21481 |
PolarSurfaceArea : 72.19 |
Druglikeness : 0.17015 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.68182 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Symmetricatoms : 2 |
Amides : 2 |
StereoCon : |