N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide
Formula:C17H13N2O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide is a drug-like molecule.
| MolName | N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide |
| MolecularFormula | C17H13N2O2F3 |
| Smiles | O=C(/C=C/c1cccc(C(F)(F)F)c1)NNC(c1ccccc1)=O |
| InChI | InChI=1S/C17H13F3N2O2/c18-17(19,20)14-8-4-5-12(11-14)9-10-15(23)21-22-16(24)13-6-2-1-3-7-13/h1-11H,(H,21,23)(H,22,24) |
| InChIK | OQFBJQKYICOITG-UHFFFAOYSA-N |
| TotalMolweight | 334.296 |
| Molweight | 334.296 |
| MonoisotopicMass | 334.092912 |
| CLogP | 2.7951 |
| CLogS | -4.458 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 247.4 |
| Relative PSA | 0.19806 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | -6.5736 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide | 2 - N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide
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