(1E)-2-(2-anilinoanilino)-N-(4-chlorophenyl)-2-oxoethanehydrazonoyl chloride
Formula:C20H16N4OCl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
(1E)-2-(2-anilinoanilino)-N-(4-chlorophenyl)-2-oxoethanehydrazonoyl chloride is not a drug-like molecule.
| MolName | (1E)-2-(2-anilinoanilino)-N-(4-chlorophenyl)-2-oxoethanehydrazonoyl chloride |
| MolecularFormula | C20H16N4OCl2 |
| Smiles | O=C(/C(/Cl)=N\Nc(cc1)ccc1Cl)Nc(cccc1)c1Nc1ccccc1 |
| InChI | InChI=1S/C20H16Cl2N4O/c21-14-10-12-16(13-11-14)25-26-19(22)20(27)24-18-9-5-4-8-17(18)23-15-6-2-1-3-7-15/h1-13,23,25H,(H,24,27) |
| InChIK | MWBBWZZHXXGXQR-UHFFFAOYSA-N |
| TotalMolweight | 399.28 |
| Molweight | 399.28 |
| MonoisotopicMass | 398.070115 |
| CLogP | 5.8533 |
| CLogS | -5.032 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 298.72 |
| Relative PSA | 0.19728 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 1.9398 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-halogenide type |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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