N-[(Z)-benzylideneamino]-2-(4-chlorophenyl)quinoline-4-carboxamide
Formula:C23H16N3OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-benzylideneamino]-2-(4-chlorophenyl)quinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-(4-chlorophenyl)quinoline-4-carboxamide |
| MolecularFormula | C23H16N3OCl |
| Smiles | O=C(c1cc(-c(cc2)ccc2Cl)nc2ccccc12)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C23H16ClN3O/c24-18-12-10-17(11-13-18)22-14-20(19-8-4-5-9-21(19)26-22)23(28)27-25-15-16-6-2-1-3-7-16/h1-15H,(H,27,28) |
| InChIK | GWZMYSPICSUKHJ-UHFFFAOYSA-N |
| TotalMolweight | 385.853 |
| Molweight | 385.853 |
| MonoisotopicMass | 385.098189 |
| CLogP | 5.8738 |
| CLogS | -6.941 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 295.53 |
| Relative PSA | 0.15897 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 4.4715 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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