N-(3-chlorophenyl)-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]oxamide
Formula:C17H14N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3-chlorophenyl)-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]oxamide is a drug-like molecule.
| MolName | N-(3-chlorophenyl)-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]oxamide |
| MolecularFormula | C17H14N3O2Cl |
| Smiles | O=C(C(N/N=C\C=C\c1ccccc1)=O)Nc1cccc(Cl)c1 |
| InChI | InChI=1S/C17H14ClN3O2/c18-14-9-4-10-15(12-14)20-16(22)17(23)21-19-11-5-8-13-6-2-1-3-7-13/h1-12H,(H,20,22)(H,21,23) |
| InChIK | DXWHAMFVQCCJOE-UHFFFAOYSA-N |
| TotalMolweight | 327.77 |
| Molweight | 327.77 |
| MonoisotopicMass | 327.077454 |
| CLogP | 2.7682 |
| CLogS | -4.553 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 258.12 |
| Relative PSA | 0.23443 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.7778 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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