4-[(2Z)-2-(2,2,2-trifluoroethylidene)hydrazinyl]benzoic acid
Formula:C9H7N2O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-(2,2,2-trifluoroethylidene)hydrazinyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(2Z)-2-(2,2,2-trifluoroethylidene)hydrazinyl]benzoic acid |
| MolecularFormula | C9H7N2O2F3 |
| Smiles | OC(c(cc1)ccc1N/N=C\C(F)(F)F)=O |
| InChI | InChI=1S/C9H7F3N2O2/c10-9(11,12)5-13-14-7-3-1-6(2-4-7)8(15)16/h1-5,14H,(H,15,16) |
| InChIK | VEMVEXLCUQSWPV-UHFFFAOYSA-N |
| TotalMolweight | 232.161 |
| Molweight | 232.161 |
| MonoisotopicMass | 232.045962 |
| CLogP | 3.0556 |
| CLogS | -2.654 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 163.04 |
| Relative PSA | 0.30121 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | -5.329 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(2Z)-2-(2,2,2-trifluoroethylidene)hydrazinyl]benzoic acid | 2 - 4-[(2Z)-2-(2,2,2-trifluoroethylidene)hydrazinyl]benzoic acid
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