4-[(Z)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoic acid
Formula:C15H11N2O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoic acid is not a drug-like molecule.
| MolName | 4-[(Z)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C15H11N2O2F3 |
| Smiles | OC(c1ccc(/C=N\Nc2cccc(C(F)(F)F)c2)cc1)=O |
| InChI | InChI=1S/C15H11F3N2O2/c16-15(17,18)12-2-1-3-13(8-12)20-19-9-10-4-6-11(7-5-10)14(21)22/h1-9,20H,(H,21,22) |
| InChIK | MGNKAYVHQXZEJO-UHFFFAOYSA-N |
| TotalMolweight | 308.258 |
| Molweight | 308.258 |
| MonoisotopicMass | 308.077262 |
| CLogP | 5.1743 |
| CLogS | -3.94 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 222.8 |
| Relative PSA | 0.22042 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | -5.329 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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