2-[(Z)-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinylidene]methyl]benzoic acid
Formula:C14H11N4O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 2-[(Z)-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C14H11N4O3F3 |
| Smiles | OC(c1c(/C=N\NC(Cn2nc(C(F)(F)F)cc2)=O)cccc1)=O |
| InChI | InChI=1S/C14H11F3N4O3/c15-14(16,17)11-5-6-21(20-11)8-12(22)19-18-7-9-3-1-2-4-10(9)13(23)24/h1-7H,8H2,(H,19,22)(H,23,24) |
| InChIK | IAJKZCIQWGOSHA-UHFFFAOYSA-N |
| TotalMolweight | 340.26 |
| Molweight | 340.26 |
| MonoisotopicMass | 340.078325 |
| CLogP | 1.1459 |
| CLogS | -2.77 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 242.27 |
| Relative PSA | 0.33017 |
| PolarSurfaceArea | 96.58 |
| Druglikeness | -5.6167 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinylidene]methyl]benzoic acid | 2 - 2-[(Z)-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinylidene]methyl]benzoic acid
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