| MolName | (E)-3-(4-fluorophenyl)-N'-[2-(4-nitrophenoxy)acetyl]prop-2-enehydrazide |
| MolecularFormula | C17H14N3O5F |
| Smiles | [O-][N+](c(cc1)ccc1OCC(NNC(/C=C/c(cc1)ccc1F)=O)=O)=O |
| InChI | InChI=1S/C17H14FN3O5/c18-13-4-1-12(2-5-13)3-10-16(22)19-20-17(23)11-26-15-8-6-14(7-9-15)21(24)25/h1-10H,11H2,(H,19,22)(H,20,23) |
| InChIK | GHFFSOPNAMRWOO-UHFFFAOYSA-N |
| TotalMolweight | 359.312 |
| Molweight | 359.312 |
| MonoisotopicMass | 359.09175 |
| CLogP | 0.7009 |
| CLogS | -4.234 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 271.72 |
| Relative PSA | 0.32909 |
| PolarSurfaceArea | 113.25 |
| Druglikeness | -5.8759 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-3-(4-fluorophenyl)-N'-[2-(4-nitrophenoxy)acetyl]prop-2-enehydrazide | 2 - (E)-3-(4-fluorophenyl)-N'-[2-(4-nitrophenoxy)acetyl]prop-2-enehydrazide