| MolName | 4-chloro-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide |
| MolecularFormula | C19H11N2O2Cl |
| Smiles | O=C(c(cc1)ccc1Cl)N/N=C(/c1cccc2cccc3c12)\C3=O |
| InChI | InChI=1S/C19H11ClN2O2/c20-13-9-7-12(8-10-13)19(24)22-21-17-14-5-1-3-11-4-2-6-15(16(11)14)18(17)23/h1-10H,(H,22,24) |
| InChIK | NFLMKMJDUCVJOE-UHFFFAOYSA-N |
| TotalMolweight | 334.761 |
| Molweight | 334.761 |
| MonoisotopicMass | 334.050905 |
| CLogP | 4.4399 |
| CLogS | -6.653 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 239.47 |
| Relative PSA | 0.20483 |
| PolarSurfaceArea | 58.53 |
| Druglikeness | 4.2245 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 4-chloro-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide | 2 - 4-chloro-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide