| MolName | N-(2-chlorophenyl)-4-[2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]hydrazinyl]-4-oxobutanamide |
| MolecularFormula | C19H17N3O3ClF |
| Smiles | O=C(CCC(NNC(/C=C/c(cc1)ccc1F)=O)=O)Nc(cccc1)c1Cl |
| InChI | InChI=1S/C19H17ClFN3O3/c20-15-3-1-2-4-16(15)22-17(25)11-12-19(27)24-23-18(26)10-7-13-5-8-14(21)9-6-13/h1-10H,11-12H2,(H,22,25)(H,23,26)(H,24,27) |
| InChIK | CHBOORXJUGUALM-UHFFFAOYSA-N |
| TotalMolweight | 389.813 |
| Molweight | 389.813 |
| MonoisotopicMass | 389.094247 |
| CLogP | 2.5047 |
| CLogS | -5.074 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 296.44 |
| Relative PSA | 0.24794 |
| PolarSurfaceArea | 87.3 |
| Druglikeness | -1.206 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-(2-chlorophenyl)-4-[2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]hydrazinyl]-4-oxobutanamide | 2 - N-(2-chlorophenyl)-4-[2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]hydrazinyl]-4-oxobutanamide