2-chloro-N-[(Z)-quinolin-4-ylmethylideneamino]aniline
Formula:C16H12N3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[(Z)-quinolin-4-ylmethylideneamino]aniline is not a drug-like molecule.
| MolName | 2-chloro-N-[(Z)-quinolin-4-ylmethylideneamino]aniline |
| MolecularFormula | C16H12N3Cl |
| Smiles | Clc(cccc1)c1N/N=C\c1ccnc2ccccc12 |
| InChI | InChI=1S/C16H12ClN3/c17-14-6-2-4-8-16(14)20-19-11-12-9-10-18-15-7-3-1-5-13(12)15/h1-11,20H |
| InChIK | GIYHQSWSABAXJZ-UHFFFAOYSA-N |
| TotalMolweight | 281.745 |
| Molweight | 281.745 |
| MonoisotopicMass | 281.071974 |
| CLogP | 5.7629 |
| CLogS | -4.591 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 218.02 |
| Relative PSA | 0.15567 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 2.3845 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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