7-chloro-N-[(Z)-pyridin-3-ylmethylideneamino]quinolin-4-amine
Formula:C15H11N4Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
7-chloro-N-[(Z)-pyridin-3-ylmethylideneamino]quinolin-4-amine is a drug-like molecule.
| MolName | 7-chloro-N-[(Z)-pyridin-3-ylmethylideneamino]quinolin-4-amine |
| MolecularFormula | C15H11N4Cl |
| Smiles | Clc1cc2nccc(N/N=C\c3cnccc3)c2cc1 |
| InChI | InChI=1S/C15H11ClN4/c16-12-3-4-13-14(5-7-18-15(13)8-12)20-19-10-11-2-1-6-17-9-11/h1-10H,(H,18,20) |
| InChIK | WTCHDUNWZHYYBS-UHFFFAOYSA-N |
| TotalMolweight | 282.733 |
| Molweight | 282.733 |
| MonoisotopicMass | 282.067223 |
| CLogP | 4.762 |
| CLogS | -3.796 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 216.78 |
| Relative PSA | 0.20717 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 2.3845 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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