| MolName | N-[(Z)-1-(2-fluorophenyl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]benzamide |
| MolecularFormula | C19H19N2O3F |
| Smiles | OCCCNC(/C(/NC(c1ccccc1)=O)=C/c(cccc1)c1F)=O |
| InChI | InChI=1S/C19H19FN2O3/c20-16-10-5-4-9-15(16)13-17(19(25)21-11-6-12-23)22-18(24)14-7-2-1-3-8-14/h1-5,7-10,13,23H,6,11-12H2,(H,21,25)(H,22,24) |
| InChIK | KUHXDFVIKQXEQH-UHFFFAOYSA-N |
| TotalMolweight | 342.369 |
| Molweight | 342.369 |
| MonoisotopicMass | 342.137971 |
| CLogP | 2.7499 |
| CLogS | -3.743 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 270.13 |
| Relative PSA | 0.22989 |
| PolarSurfaceArea | 78.43 |
| Druglikeness | 0.29035 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - N-[(Z)-1-(2-fluorophenyl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(Z)-1-(2-fluorophenyl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]benzamide