2-(4-phenylphenyl)-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]quinoline-4-carboxamide
Formula:C30H20N3OF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-(4-phenylphenyl)-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]quinoline-4-carboxamide is not a drug-like molecule.
| MolName | 2-(4-phenylphenyl)-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]quinoline-4-carboxamide |
| MolecularFormula | C30H20N3OF3 |
| Smiles | O=C(c1cc(-c(cc2)ccc2-c2ccccc2)nc2ccccc12)N/N=C\c1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C30H20F3N3O/c31-30(32,33)24-10-6-7-20(17-24)19-34-36-29(37)26-18-28(35-27-12-5-4-11-25(26)27)23-15-13-22(14-16-23)21-8-2-1-3-9-21/h1-19H,(H,36,37) |
| InChIK | BEPPJHZELKGLQE-UHFFFAOYSA-N |
| TotalMolweight | 495.503 |
| Molweight | 495.503 |
| MonoisotopicMass | 495.155846 |
| CLogP | 7.7753 |
| CLogS | -9.069 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 369.33 |
| Relative PSA | 0.1272 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | -2.7213 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54054 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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