4-hydroxy-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
Formula:C15H11N2O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-hydroxy-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-hydroxy-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide |
| MolecularFormula | C15H11N2O2F3 |
| Smiles | Oc(cc1)ccc1C(N/N=C\c1ccc(C(F)(F)F)cc1)=O |
| InChI | InChI=1S/C15H11F3N2O2/c16-15(17,18)12-5-1-10(2-6-12)9-19-20-14(22)11-3-7-13(21)8-4-11/h1-9,21H,(H,20,22) |
| InChIK | DBRJSKBWLYXOBS-UHFFFAOYSA-N |
| TotalMolweight | 308.258 |
| Molweight | 308.258 |
| MonoisotopicMass | 308.077262 |
| CLogP | 3.7042 |
| CLogS | -4.203 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 222.8 |
| Relative PSA | 0.22042 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | -2.7696 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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