(Z)-1-(6-nitro-1,3-benzodioxol-5-yl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]methanimine
Formula:C16H10N4O8
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(6-nitro-1,3-benzodioxol-5-yl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]methanimine is not a drug-like molecule.
| MolName | (Z)-1-(6-nitro-1,3-benzodioxol-5-yl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]methanimine |
| MolecularFormula | C16H10N4O8 |
| Smiles | [O-][N+](c1c(/C=N\N=C/c(cc2OCOc2c2)c2[N+]([O-])=O)cc2OCOc2c1)=O |
| InChI | InChI=1S/C16H10N4O8/c21-19(22)11-3-15-13(25-7-27-15)1-9(11)5-17-18-6-10-2-14-16(28-8-26-14)4-12(10)20(23)24/h1-6H,7-8H2 |
| InChIK | OQWVQTWIQKIBDT-UHFFFAOYSA-N |
| TotalMolweight | 386.275 |
| Molweight | 386.275 |
| MonoisotopicMass | 386.049866 |
| CLogP | 3.1652 |
| CLogS | -6.474 |
| H Acceptors | 12 |
| TotalSurfaceArea | 270.4 |
| Relative PSA | 0.45806 |
| PolarSurfaceArea | 153.28 |
| Druglikeness | -4.0236 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 14 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - (Z)-1-(6-nitro-1,3-benzodioxol-5-yl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]methanimine | 2 - (Z)-1-(6-nitro-1,3-benzodioxol-5-yl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]methanimine
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