[4-[(Z)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazinylidene)methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
Formula:C23H18N2O6
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazinylidene)methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | [4-[(Z)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazinylidene)methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C23H18N2O6 |
| Smiles | O=C(C1Oc(cccc2)c2OC1)N/N=C\c(cc1)ccc1OC(/C=C/c1ccco1)=O |
| InChI | InChI=1S/C23H18N2O6/c26-22(12-11-17-4-3-13-28-17)30-18-9-7-16(8-10-18)14-24-25-23(27)21-15-29-19-5-1-2-6-20(19)31-21/h1-14,21H,15H2,(H,25,27)/t21-/m0/s1 |
| InChIK | KVHHMMXDJZMLMT-NRFANRHFSA-N |
| TotalMolweight | 418.404 |
| Molweight | 418.404 |
| MonoisotopicMass | 418.116488 |
| CLogP | 3.6921 |
| CLogS | -5.265 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 323.45 |
| Relative PSA | 0.28802 |
| PolarSurfaceArea | 99.36 |
| Druglikeness | 2.5901 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| 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] (E)-3-(furan-2-yl)prop-2-enoate | 2 - [4-[(Z)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazinylidene)methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
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