7-chloro-N-[(Z)-quinolin-4-ylmethylideneamino]quinolin-4-amine
Formula:C19H13N4Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
7-chloro-N-[(Z)-quinolin-4-ylmethylideneamino]quinolin-4-amine is not a drug-like molecule.
| MolName | 7-chloro-N-[(Z)-quinolin-4-ylmethylideneamino]quinolin-4-amine |
| MolecularFormula | C19H13N4Cl |
| Smiles | Clc1cc2nccc(N/N=C\c3ccnc4ccccc34)c2cc1 |
| InChI | InChI=1S/C19H13ClN4/c20-14-5-6-16-18(8-10-22-19(16)11-14)24-23-12-13-7-9-21-17-4-2-1-3-15(13)17/h1-12H,(H,22,24) |
| InChIK | KLVIQFHURGJNHW-UHFFFAOYSA-N |
| TotalMolweight | 332.793 |
| Molweight | 332.793 |
| MonoisotopicMass | 332.082873 |
| CLogP | 6.0789 |
| CLogS | -5.297 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 251.38 |
| Relative PSA | 0.17865 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 2.3845 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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