| MolName | [3-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate |
| MolecularFormula | C23H16N3O4Cl2F |
| Smiles | O=C(CNC(c(cc1)ccc1F)=O)N/N=C\c1cccc(OC(c(ccc(Cl)c2)c2Cl)=O)c1 |
| InChI | InChI=1S/C23H16Cl2FN3O4/c24-16-6-9-19(20(25)11-16)23(32)33-18-3-1-2-14(10-18)12-28-29-21(30)13-27-22(31)15-4-7-17(26)8-5-15/h1-12H,13H2,(H,27,31)(H,29,30) |
| InChIK | BENWZCFTRGUAKF-UHFFFAOYSA-N |
| TotalMolweight | 488.301 |
| Molweight | 488.301 |
| MonoisotopicMass | 487.050189 |
| CLogP | 5.0286 |
| CLogS | -6.744 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 354.66 |
| Relative PSA | 0.23558 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 3.7616 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - [3-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate | 2 - [3-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate