N-[(Z)-[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]-2-phenylacetamide
Formula:C17H15N2OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]-2-phenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]-2-phenylacetamide |
| MolecularFormula | C17H15N2OCl |
| Smiles | O=C(Cc1ccccc1)N/N=C\C=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C17H15ClN2O/c18-16-11-5-4-9-15(16)10-6-12-19-20-17(21)13-14-7-2-1-3-8-14/h1-12H,13H2,(H,20,21) |
| InChIK | FCFQRSBYHBMRSJ-UHFFFAOYSA-N |
| TotalMolweight | 298.772 |
| Molweight | 298.772 |
| MonoisotopicMass | 298.08729 |
| CLogP | 3.824 |
| CLogS | -4.714 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 242.67 |
| Relative PSA | 0.14839 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 4.43 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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