4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]benzoic acid
Formula:C17H13N2O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C17H13N2O3F3 |
| Smiles | OC(c1ccc(/C=N\NC(Cc2cccc(C(F)(F)F)c2)=O)cc1)=O |
| InChI | InChI=1S/C17H13F3N2O3/c18-17(19,20)14-3-1-2-12(8-14)9-15(23)22-21-10-11-4-6-13(7-5-11)16(24)25/h1-8,10H,9H2,(H,22,23)(H,24,25) |
| InChIK | YZEYCNXSBJDXRG-UHFFFAOYSA-N |
| TotalMolweight | 350.295 |
| Molweight | 350.295 |
| MonoisotopicMass | 350.087827 |
| CLogP | 3.5331 |
| CLogS | -4.477 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 254.31 |
| Relative PSA | 0.24439 |
| PolarSurfaceArea | 78.76 |
| Druglikeness | -3.0472 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]benzoic acid | 2 - 4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]benzoic acid
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