4-chloro-N-[(Z)-naphthalen-1-ylmethylideneamino]aniline
Formula:C17H13N2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
4-chloro-N-[(Z)-naphthalen-1-ylmethylideneamino]aniline is not a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-naphthalen-1-ylmethylideneamino]aniline |
| MolecularFormula | C17H13N2Cl |
| Smiles | Clc(cc1)ccc1N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C17H13ClN2/c18-15-8-10-16(11-9-15)20-19-12-14-6-3-5-13-4-1-2-7-17(13)14/h1-12,20H |
| InChIK | WCGWTJWSAMBDGH-UHFFFAOYSA-N |
| TotalMolweight | 280.757 |
| Molweight | 280.757 |
| MonoisotopicMass | 280.076725 |
| CLogP | 6.6413 |
| CLogS | -5.491 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 219.26 |
| Relative PSA | 0.10476 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | 2.3845 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| StereoCon |
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