(1Z)-2-anilino-N-(4-chlorophenyl)-2-oxoethanehydrazonoyl chloride
Formula:C14H11N3OCl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
(1Z)-2-anilino-N-(4-chlorophenyl)-2-oxoethanehydrazonoyl chloride is a drug-like molecule.
| MolName | (1Z)-2-anilino-N-(4-chlorophenyl)-2-oxoethanehydrazonoyl chloride |
| MolecularFormula | C14H11N3OCl2 |
| Smiles | O=C(/C(/Cl)=N/Nc(cc1)ccc1Cl)Nc1ccccc1 |
| InChI | InChI=1S/C14H11Cl2N3O/c15-10-6-8-12(9-7-10)18-19-13(16)14(20)17-11-4-2-1-3-5-11/h1-9,18H,(H,17,20) |
| InChIK | YZQTTYMUOMQDEB-UHFFFAOYSA-N |
| TotalMolweight | 308.167 |
| Molweight | 308.167 |
| MonoisotopicMass | 307.027916 |
| CLogP | 4.3229 |
| CLogS | -3.454 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 227.5 |
| Relative PSA | 0.20866 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 1.9398 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-halogenide type |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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