| MolName | [1-[(Z)-[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate |
| MolecularFormula | C26H17N2O4Cl2F |
| Smiles | O=C(COc(cc1)ccc1F)N/N=C\c(c1ccccc1cc1)c1OC(c(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C26H17Cl2FN2O4/c27-17-6-11-21(23(28)13-17)26(33)35-24-12-5-16-3-1-2-4-20(16)22(24)14-30-31-25(32)15-34-19-9-7-18(29)8-10-19/h1-14H,15H2,(H,31,32) |
| InChIK | JKGPWPODNZYHGV-UHFFFAOYSA-N |
| TotalMolweight | 511.335 |
| Molweight | 511.335 |
| MonoisotopicMass | 510.05494 |
| CLogP | 6.7142 |
| CLogS | -8.363 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 370.05 |
| Relative PSA | 0.1866 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 2.6806 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [1-[(Z)-[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate | 2 - [1-[(Z)-[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate