N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1,3-benzodioxole-5-carboxamide
Formula:C17H14N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C17H14N2O5 |
| Smiles | O=C(c(cc1)cc2c1OCO2)N/N=C\c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C17H14N2O5/c20-17(12-2-4-14-16(8-12)24-10-23-14)19-18-9-11-1-3-13-15(7-11)22-6-5-21-13/h1-4,7-9H,5-6,10H2,(H,19,20) |
| InChIK | WBXJCOUIEWIEAF-UHFFFAOYSA-N |
| TotalMolweight | 326.307 |
| Molweight | 326.307 |
| MonoisotopicMass | 326.090273 |
| CLogP | 3.2918 |
| CLogS | -4.614 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 241.27 |
| Relative PSA | 0.31504 |
| PolarSurfaceArea | 78.38 |
| Druglikeness | -2.9227 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| StereoCon |
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1 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1,3-benzodioxole-5-carboxamide | 2 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1,3-benzodioxole-5-carboxamide
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