| MolName | 2-hydroxy-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide |
| MolecularFormula | C19H13N2O3F3 |
| Smiles | Oc(cccc1)c1C(N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)=O |
| InChI | InChI=1S/C19H13F3N2O3/c20-19(21,22)13-5-3-4-12(10-13)17-9-8-14(27-17)11-23-24-18(26)15-6-1-2-7-16(15)25/h1-11,25H,(H,24,26) |
| InChIK | QSFZYUJQRRUKEE-UHFFFAOYSA-N |
| TotalMolweight | 374.317 |
| Molweight | 374.317 |
| MonoisotopicMass | 374.087827 |
| CLogP | 4.6431 |
| CLogS | -5.663 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 272.25 |
| Relative PSA | 0.23221 |
| PolarSurfaceArea | 74.83 |
| Druglikeness | -0.73578 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-hydroxy-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide | 2 - 2-hydroxy-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide