2-[2-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]phenoxy]acetate
Formula:C17H13N2O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[2-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]phenoxy]acetate |
| MolecularFormula | C17H13N2O6 |
| Smiles | [O-]C(COc1c(/C=N\NC(c(cc2)cc3c2OCO3)=O)cccc1)=O |
| InChI | InChI=1S/C17H14N2O6/c20-16(21)9-23-13-4-2-1-3-12(13)8-18-19-17(22)11-5-6-14-15(7-11)25-10-24-14/h1-8H,9-10H2,(H,19,22)(H,20,21)/p-1 |
| InChIK | PASPRCVGGCSEBB-UHFFFAOYSA-M |
| TotalMolweight | 341.298 |
| Molweight | 341.298 |
| MonoisotopicMass | 341.077363 |
| CLogP | 0.297 |
| CLogS | -4.225 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 256.29 |
| Relative PSA | 0.36416 |
| PolarSurfaceArea | 109.28 |
| Druglikeness | 4.1986 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]phenoxy]acetate | 2 - 2-[2-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]phenoxy]acetate
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