| MolName | N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-2-iodobenzohydrazide |
| MolecularFormula | C16H12N2O2FI |
| Smiles | O=C(/C=C/c(cc1)ccc1F)NNC(c(cccc1)c1I)=O |
| InChI | InChI=1S/C16H12FIN2O2/c17-12-8-5-11(6-9-12)7-10-15(21)19-20-16(22)13-3-1-2-4-14(13)18/h1-10H,(H,19,21)(H,20,22) |
| InChIK | HYHUNLSLNFHMGX-UHFFFAOYSA-N |
| TotalMolweight | 410.181 |
| Molweight | 410.181 |
| MonoisotopicMass | 409.992754 |
| CLogP | 2.4847 |
| CLogS | -5.01 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 250.57 |
| Relative PSA | 0.19555 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | -0.17941 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-2-iodobenzohydrazide | 2 - N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-2-iodobenzohydrazide