[4-[(Z)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
Formula:C21H16N2O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C21H16N2O6 |
| Smiles | O=C(C1Oc(cccc2)c2OC1)N/N=C\c(cc1)ccc1OC(c1ccco1)=O |
| InChI | InChI=1S/C21H16N2O6/c24-20(19-13-27-16-4-1-2-5-17(16)29-19)23-22-12-14-7-9-15(10-8-14)28-21(25)18-6-3-11-26-18/h1-12,19H,13H2,(H,23,24)/t19-/m0/s1 |
| InChIK | MHLGFPXTIIQACD-IBGZPJMESA-N |
| TotalMolweight | 392.366 |
| Molweight | 392.366 |
| MonoisotopicMass | 392.100838 |
| CLogP | 3.3629 |
| CLogS | -4.895 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 296.95 |
| Relative PSA | 0.31372 |
| PolarSurfaceArea | 99.36 |
| Druglikeness | 4.8397 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - [4-[(Z)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate | 2 - [4-[(Z)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
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