N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1,3-benzodioxole-5-carboxamide
Formula:C16H12N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C16H12N2O5 |
| Smiles | O=C(c(cc1)cc2c1OCO2)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C16H12N2O5/c19-16(11-2-4-13-15(6-11)23-9-21-13)18-17-7-10-1-3-12-14(5-10)22-8-20-12/h1-7H,8-9H2,(H,18,19) |
| InChIK | ZLEXMGDSSQQDGN-UHFFFAOYSA-N |
| TotalMolweight | 312.28 |
| Molweight | 312.28 |
| MonoisotopicMass | 312.074623 |
| CLogP | 3.4244 |
| CLogS | -5.143 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 227.51 |
| Relative PSA | 0.3341 |
| PolarSurfaceArea | 78.38 |
| Druglikeness | 4.2378 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| StereoCon |
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