N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]cyclopropanecarboxamide
Formula:C12H11N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]cyclopropanecarboxamide is a drug-like molecule.
| MolName | N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]cyclopropanecarboxamide |
| MolecularFormula | C12H11N3O5 |
| Smiles | [O-][N+](c1c(/C=N\NC(C2CC2)=O)cc2OCOc2c1)=O |
| InChI | InChI=1S/C12H11N3O5/c16-12(7-1-2-7)14-13-5-8-3-10-11(20-6-19-10)4-9(8)15(17)18/h3-5,7H,1-2,6H2,(H,14,16) |
| InChIK | RZVUUUBYCOZBOZ-UHFFFAOYSA-N |
| TotalMolweight | 277.235 |
| Molweight | 277.235 |
| MonoisotopicMass | 277.069872 |
| CLogP | 1.2657 |
| CLogS | -4.238 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 197.68 |
| Relative PSA | 0.43722 |
| PolarSurfaceArea | 105.74 |
| Druglikeness | 0.45245 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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