N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]quinoline-2-carboxamide
Formula:C18H12N3OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]quinoline-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]quinoline-2-carboxamide |
| MolecularFormula | C18H12N3OF3 |
| Smiles | O=C(c1nc2ccccc2cc1)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C18H12F3N3O/c19-18(20,21)14-8-5-12(6-9-14)11-22-24-17(25)16-10-7-13-3-1-2-4-15(13)23-16/h1-11H,(H,24,25) |
| InChIK | DUXAANKSDNIGFZ-UHFFFAOYSA-N |
| TotalMolweight | 343.307 |
| Molweight | 343.307 |
| MonoisotopicMass | 343.093246 |
| CLogP | 4.4199 |
| CLogS | -5.229 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 249.81 |
| Relative PSA | 0.18806 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | -2.7213 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]quinoline-2-carboxamide | 2 - N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]quinoline-2-carboxamide
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