[2-benzoyloxy-4-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] benzoate
Formula:C30H22N2O7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-benzoyloxy-4-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [2-benzoyloxy-4-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] benzoate |
| MolecularFormula | C30H22N2O7 |
| Smiles | O=C(c(cc1)cc2c1OCCO2)N/N=C\c(cc1)cc(OC(c2ccccc2)=O)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C30H22N2O7/c33-28(23-12-14-24-26(18-23)37-16-15-36-24)32-31-19-20-11-13-25(38-29(34)21-7-3-1-4-8-21)27(17-20)39-30(35)22-9-5-2-6-10-22/h1-14,17-19H,15-16H2,(H,32,33) |
| InChIK | IJZQJUDYZGMYGX-UHFFFAOYSA-N |
| TotalMolweight | 522.512 |
| Molweight | 522.512 |
| MonoisotopicMass | 522.142703 |
| CLogP | 6.0414 |
| CLogS | -6.843 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 396.03 |
| Relative PSA | 0.25778 |
| PolarSurfaceArea | 112.52 |
| Druglikeness | -3.0943 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51282 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [2-benzoyloxy-4-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] benzoate | 2 - [2-benzoyloxy-4-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] benzoate
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