| MolName | (E)-N'-[2-(4-bromophenoxy)acetyl]-3-(4-fluorophenyl)prop-2-enehydrazide |
| MolecularFormula | C17H14N2O3BrF |
| Smiles | O=C(COc(cc1)ccc1Br)NNC(/C=C/c(cc1)ccc1F)=O |
| InChI | InChI=1S/C17H14BrFN2O3/c18-13-4-8-15(9-5-13)24-11-17(23)21-20-16(22)10-3-12-1-6-14(19)7-2-12/h1-10H,11H2,(H,20,22)(H,21,23) |
| InChIK | ZKWMNQXEGRAQPY-UHFFFAOYSA-N |
| TotalMolweight | 393.211 |
| Molweight | 393.211 |
| MonoisotopicMass | 392.017182 |
| CLogP | 2.3477 |
| CLogS | -4.608 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 266.68 |
| Relative PSA | 0.22124 |
| PolarSurfaceArea | 67.43 |
| Druglikeness | -2.5924 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (E)-N'-[2-(4-bromophenoxy)acetyl]-3-(4-fluorophenyl)prop-2-enehydrazide | 2 - (E)-N'-[2-(4-bromophenoxy)acetyl]-3-(4-fluorophenyl)prop-2-enehydrazide