(E)-3-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]prop-2-enamide
Formula:C16H12NOCl3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]prop-2-enamide |
| MolecularFormula | C16H12NOCl3 |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)NCc(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C16H12Cl3NO/c17-13-4-2-1-3-12(13)6-8-16(21)20-10-11-5-7-14(18)15(19)9-11/h1-9H,10H2,(H,20,21) |
| InChIK | LEWCEHXFECTRPD-UHFFFAOYSA-N |
| TotalMolweight | 340.636 |
| Molweight | 340.636 |
| MonoisotopicMass | 338.998445 |
| CLogP | 4.6637 |
| CLogS | -5.522 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 248.75 |
| Relative PSA | 0.098492 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 0.16321 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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