N-[(Z)-2-chloroethylideneamino]benzamide
Formula:C9H9N2OCl
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-2-chloroethylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-2-chloroethylideneamino]benzamide |
| MolecularFormula | C9H9N2OCl |
| Smiles | O=C(c1ccccc1)N/N=C\CCl |
| InChI | InChI=1S/C9H9ClN2O/c10-6-7-11-12-9(13)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,13) |
| InChIK | JVLHINXABPDBFU-UHFFFAOYSA-N |
| TotalMolweight | 196.636 |
| Molweight | 196.636 |
| MonoisotopicMass | 196.04034 |
| CLogP | 1.6762 |
| CLogS | -2.874 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 156.41 |
| Relative PSA | 0.23023 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 4.2379 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.76923 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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