[4-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate
Formula:C24H18N2O7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate |
| MolecularFormula | C24H18N2O7 |
| Smiles | O=C(c(cc1)cc2c1OCCO2)N/N=C\c(cc1)ccc1OC(c(cc1)cc2c1OCO2)=O |
| InChI | InChI=1S/C24H18N2O7/c27-23(16-3-7-19-21(11-16)30-10-9-29-19)26-25-13-15-1-5-18(6-2-15)33-24(28)17-4-8-20-22(12-17)32-14-31-20/h1-8,11-13H,9-10,14H2,(H,26,27) |
| InChIK | ROLBTMCDXSJZGD-UHFFFAOYSA-N |
| TotalMolweight | 446.414 |
| Molweight | 446.414 |
| MonoisotopicMass | 446.111403 |
| CLogP | 4.7223 |
| CLogS | -6.084 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 328.78 |
| Relative PSA | 0.30127 |
| PolarSurfaceArea | 104.68 |
| Druglikeness | -3.1268 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [4-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate | 2 - [4-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate
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