7-chloro-N-[(Z)-(4-phenylphenyl)methylideneamino]quinolin-4-amine
Formula:C22H16N3Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
7-chloro-N-[(Z)-(4-phenylphenyl)methylideneamino]quinolin-4-amine is not a drug-like molecule.
| MolName | 7-chloro-N-[(Z)-(4-phenylphenyl)methylideneamino]quinolin-4-amine |
| MolecularFormula | C22H16N3Cl |
| Smiles | Clc1cc2nccc(N/N=C\c(cc3)ccc3-c3ccccc3)c2cc1 |
| InChI | InChI=1S/C22H16ClN3/c23-19-10-11-20-21(12-13-24-22(20)14-19)26-25-15-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-15H,(H,24,26) |
| InChIK | GEJHRODGTLDUHP-UHFFFAOYSA-N |
| TotalMolweight | 357.843 |
| Molweight | 357.843 |
| MonoisotopicMass | 357.103274 |
| CLogP | 7.4221 |
| CLogS | -6.677 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 277.78 |
| Relative PSA | 0.12218 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 2.3845 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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