[4-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate
Formula:C20H14N2O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate |
| MolecularFormula | C20H14N2O5S |
| Smiles | O=C(c1cccs1)Oc1ccc(/C=N\NC(c(cc2)cc3c2OCO3)=O)cc1 |
| InChI | InChI=1S/C20H14N2O5S/c23-19(14-5-8-16-17(10-14)26-12-25-16)22-21-11-13-3-6-15(7-4-13)27-20(24)18-2-1-9-28-18/h1-11H,12H2,(H,22,23) |
| InChIK | FNFUPIAKCGCFHW-UHFFFAOYSA-N |
| TotalMolweight | 394.406 |
| Molweight | 394.406 |
| MonoisotopicMass | 394.062343 |
| CLogP | 4.6101 |
| CLogS | -5.912 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 290.7 |
| Relative PSA | 0.34197 |
| PolarSurfaceArea | 114.46 |
| Druglikeness | 5.9154 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [4-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate | 2 - [4-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate
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