(1Z)-2-anilino-2-oxo-N-phenylethanehydrazonoyl chloride
Formula:C14H12N3OCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(1Z)-2-anilino-2-oxo-N-phenylethanehydrazonoyl chloride is a drug-like molecule.
| MolName | (1Z)-2-anilino-2-oxo-N-phenylethanehydrazonoyl chloride |
| MolecularFormula | C14H12N3OCl |
| Smiles | O=C(/C(/Cl)=N/Nc1ccccc1)Nc1ccccc1 |
| InChI | InChI=1S/C14H12ClN3O/c15-13(18-17-12-9-5-2-6-10-12)14(19)16-11-7-3-1-4-8-11/h1-10,17H,(H,16,19) |
| InChIK | PUKSXDOBWDDAGI-UHFFFAOYSA-N |
| TotalMolweight | 273.722 |
| Molweight | 273.722 |
| MonoisotopicMass | 273.066889 |
| CLogP | 3.7169 |
| CLogS | -2.718 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 212.08 |
| Relative PSA | 0.22383 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 1.9398 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-halogenide type |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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