| MolName | 4-[2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]hydrazinyl]-4-oxo-N-phenylbutanamide |
| MolecularFormula | C19H18N3O3F |
| Smiles | O=C(CCC(NNC(/C=C/c(cc1)ccc1F)=O)=O)Nc1ccccc1 |
| InChI | InChI=1S/C19H18FN3O3/c20-15-9-6-14(7-10-15)8-11-18(25)22-23-19(26)13-12-17(24)21-16-4-2-1-3-5-16/h1-11H,12-13H2,(H,21,24)(H,22,25)(H,23,26) |
| InChIK | PMBFCLUNJXALDM-UHFFFAOYSA-N |
| TotalMolweight | 355.368 |
| Molweight | 355.368 |
| MonoisotopicMass | 355.13322 |
| CLogP | 1.8987 |
| CLogS | -4.338 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 281.02 |
| Relative PSA | 0.26155 |
| PolarSurfaceArea | 87.3 |
| Druglikeness | -1.271 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 4-[2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]hydrazinyl]-4-oxo-N-phenylbutanamide | 2 - 4-[2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]hydrazinyl]-4-oxo-N-phenylbutanamide