(Z)-1-(1,3-benzodioxol-5-yl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]methanimine
Formula:C16H12N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(1,3-benzodioxol-5-yl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]methanimine is not a drug-like molecule.
| MolName | (Z)-1-(1,3-benzodioxol-5-yl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]methanimine |
| MolecularFormula | C16H12N2O4 |
| Smiles | C1Oc(cc(/C=N\N=C/c(cc2)cc3c2OCO3)cc2)c2O1 |
| InChI | InChI=1S/C16H12N2O4/c1-3-13-15(21-9-19-13)5-11(1)7-17-18-8-12-2-4-14-16(6-12)22-10-20-14/h1-8H,9-10H2 |
| InChIK | MBQLJZPLRISBPE-UHFFFAOYSA-N |
| TotalMolweight | 296.281 |
| Molweight | 296.281 |
| MonoisotopicMass | 296.079708 |
| CLogP | 5.0084 |
| CLogS | -5.554 |
| H Acceptors | 6 |
| TotalSurfaceArea | 223.06 |
| Relative PSA | 0.28252 |
| PolarSurfaceArea | 61.64 |
| Druglikeness | 1.2464 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 11 |
| StereoCon |
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