2-(4-chlorophenyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]quinoline-4-carboxamide
Formula:C27H18N3OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-(4-chlorophenyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]quinoline-4-carboxamide is not a drug-like molecule.
| MolName | 2-(4-chlorophenyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]quinoline-4-carboxamide |
| MolecularFormula | C27H18N3OCl |
| Smiles | O=C(c1cc(-c(cc2)ccc2Cl)nc2ccccc12)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C27H18ClN3O/c28-21-14-12-19(13-15-21)26-16-24(23-10-3-4-11-25(23)30-26)27(32)31-29-17-20-8-5-7-18-6-1-2-9-22(18)20/h1-17H,(H,31,32) |
| InChIK | GTXQSSCQGUIKIB-UHFFFAOYSA-N |
| TotalMolweight | 435.913 |
| Molweight | 435.913 |
| MonoisotopicMass | 435.113839 |
| CLogP | 7.0682 |
| CLogS | -8.547 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 330.13 |
| Relative PSA | 0.14231 |
| 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 | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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