| MolName | [3-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate |
| MolecularFormula | C23H17N3O4F2 |
| Smiles | O=C(CNC(c1cc(F)ccc1)=O)N/N=C\c1cccc(OC(c2cccc(F)c2)=O)c1 |
| InChI | InChI=1S/C23H17F2N3O4/c24-18-7-2-5-16(11-18)22(30)26-14-21(29)28-27-13-15-4-1-9-20(10-15)32-23(31)17-6-3-8-19(25)12-17/h1-13H,14H2,(H,26,30)(H,28,29) |
| InChIK | DXURLBRBDJHOAX-UHFFFAOYSA-N |
| TotalMolweight | 437.401 |
| Molweight | 437.401 |
| MonoisotopicMass | 437.118713 |
| CLogP | 3.9174 |
| CLogS | -5.586 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 330.17 |
| Relative PSA | 0.25305 |
| 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 | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [3-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate | 2 - [3-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate