[2-[(Z)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate
Formula:C24H18N2O7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-[(Z)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate is a drug-like molecule.
| MolName | [2-[(Z)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate |
| MolecularFormula | C24H18N2O7 |
| Smiles | O=C(C1Oc(cccc2)c2OC1)N/N=C\c(cccc1)c1OC(c(cc1)cc2c1OCO2)=O |
| InChI | InChI=1S/C24H18N2O7/c27-23(22-13-29-18-7-3-4-8-20(18)32-22)26-25-12-16-5-1-2-6-17(16)33-24(28)15-9-10-19-21(11-15)31-14-30-19/h1-12,22H,13-14H2,(H,26,27)/t22-/m0/s1 |
| InChIK | DTKCYMYLBHGGTK-QFIPXVFZSA-N |
| TotalMolweight | 446.414 |
| Molweight | 446.414 |
| MonoisotopicMass | 446.111403 |
| CLogP | 4.2856 |
| CLogS | -5.924 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 327.52 |
| Relative PSA | 0.30242 |
| PolarSurfaceArea | 104.68 |
| Druglikeness | 4.6557 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| StereoCon | racemate |
Click to Load Molecule:
1 - [2-[(Z)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate | 2 - [2-[(Z)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate
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