N-(2,5-dichlorophenyl)-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]oxamide
Formula:C17H13N3O2Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-(2,5-dichlorophenyl)-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]oxamide is a drug-like molecule.
| MolName | N-(2,5-dichlorophenyl)-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]oxamide |
| MolecularFormula | C17H13N3O2Cl2 |
| Smiles | O=C(C(N/N=C\C=C\c1ccccc1)=O)Nc(cc(cc1)Cl)c1Cl |
| InChI | InChI=1S/C17H13Cl2N3O2/c18-13-8-9-14(19)15(11-13)21-16(23)17(24)22-20-10-4-7-12-5-2-1-3-6-12/h1-11H,(H,21,23)(H,22,24) |
| InChIK | PYNOLIPJCQUMAI-UHFFFAOYSA-N |
| TotalMolweight | 362.215 |
| Molweight | 362.215 |
| MonoisotopicMass | 361.038481 |
| CLogP | 3.3742 |
| CLogS | -5.289 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 273.54 |
| Relative PSA | 0.22121 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.7778 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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