(E)-3-(3-bromophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide
Formula:C16H13NOBrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-bromophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(3-bromophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide |
| MolecularFormula | C16H13NOBrCl |
| Smiles | O=C(/C=C/c1cccc(Br)c1)NCc(cc1)ccc1Cl |
| InChI | InChI=1S/C16H13BrClNO/c17-14-3-1-2-12(10-14)6-9-16(20)19-11-13-4-7-15(18)8-5-13/h1-10H,11H2,(H,19,20) |
| InChIK | GFTDWTINVVUISO-UHFFFAOYSA-N |
| TotalMolweight | 350.642 |
| Molweight | 350.642 |
| MonoisotopicMass | 348.986902 |
| CLogP | 4.1769 |
| CLogS | -4.884 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 236.54 |
| Relative PSA | 0.10358 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -1.6268 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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