| MolName | N-[(E)-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)amino]benzamide |
| MolecularFormula | C16H13N2OF3 |
| Smiles | O=C(c1ccccc1)N/N=C(\Cc1ccccc1)/C(F)(F)F |
| InChI | InChI=1S/C16H13F3N2O/c17-16(18,19)14(11-12-7-3-1-4-8-12)20-21-15(22)13-9-5-2-6-10-13/h1-10H,11H2,(H,21,22) |
| InChIK | GNWQVTOUCQSGTK-UHFFFAOYSA-N |
| TotalMolweight | 306.286 |
| Molweight | 306.286 |
| MonoisotopicMass | 306.097997 |
| CLogP | 3.9135 |
| CLogS | -4.562 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 228.42 |
| Relative PSA | 0.15765 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -8.2674 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - N-[(E)-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)amino]benzamide | 2 - N-[(E)-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)amino]benzamide