| MolName | [4-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C23H18N3O4F |
| Smiles | O=C(CNC(c1cccc(F)c1)=O)N/N=C\c(cc1)ccc1OC(c1ccccc1)=O |
| InChI | InChI=1S/C23H18FN3O4/c24-19-8-4-7-18(13-19)22(29)25-15-21(28)27-26-14-16-9-11-20(12-10-16)31-23(30)17-5-2-1-3-6-17/h1-14H,15H2,(H,25,29)(H,27,28) |
| InChIK | KTPWYOQRZPHSSJ-UHFFFAOYSA-N |
| TotalMolweight | 419.411 |
| Molweight | 419.411 |
| MonoisotopicMass | 419.128135 |
| CLogP | 3.8166 |
| CLogS | -5.272 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 323.82 |
| Relative PSA | 0.25801 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 3.7131 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [4-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate | 2 - [4-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate