| MolName | [4-[(Z)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate |
| MolecularFormula | C28H20N2O4ClF |
| Smiles | O=C(c(cccc1)c1OCc(cc1)ccc1Cl)N/N=C\c(cc1)ccc1OC(c(cccc1)c1F)=O |
| InChI | InChI=1S/C28H20ClFN2O4/c29-21-13-9-20(10-14-21)18-35-26-8-4-2-6-24(26)27(33)32-31-17-19-11-15-22(16-12-19)36-28(34)23-5-1-3-7-25(23)30/h1-17H,18H2,(H,32,33) |
| InChIK | IYTDLZDLUAPXNV-UHFFFAOYSA-N |
| TotalMolweight | 502.928 |
| Molweight | 502.928 |
| MonoisotopicMass | 502.109563 |
| CLogP | 6.687 |
| CLogS | -7.582 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 379.79 |
| Relative PSA | 0.18181 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 2.4981 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63889 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate | 2 - [4-[(Z)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate