| MolName | [4-[(Z)-[(2,2-diphenoxyacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate |
| MolecularFormula | C28H20N2O5Cl2 |
| Smiles | O=C(C(Oc1ccccc1)Oc1ccccc1)N/N=C\c(cc1)ccc1OC(c(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C28H20Cl2N2O5/c29-20-13-16-24(25(30)17-20)27(34)35-23-14-11-19(12-15-23)18-31-32-26(33)28(36-21-7-3-1-4-8-21)37-22-9-5-2-6-10-22/h1-18,28H,(H,32,33) |
| InChIK | DJCGRPOOXDPPAG-UHFFFAOYSA-N |
| TotalMolweight | 535.382 |
| Molweight | 535.382 |
| MonoisotopicMass | 534.074927 |
| CLogP | 6.6567 |
| CLogS | -7.714 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 397.6 |
| Relative PSA | 0.19882 |
| PolarSurfaceArea | 86.22 |
| Druglikeness | 4.2953 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56757 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 11 |
| StereoCon |
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1 - [4-[(Z)-[(2,2-diphenoxyacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate | 2 - [4-[(Z)-[(2,2-diphenoxyacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate