N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]formamide
Formula:C9H7N3O5
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]formamide is a drug-like molecule.
| MolName | N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]formamide |
| MolecularFormula | C9H7N3O5 |
| Smiles | [O-][N+](c1c(/C=N\NC=O)cc2OCOc2c1)=O |
| InChI | InChI=1S/C9H7N3O5/c13-4-11-10-3-6-1-8-9(17-5-16-8)2-7(6)12(14)15/h1-4H,5H2,(H,11,13) |
| InChIK | OSTKUXBIEJEMHN-UHFFFAOYSA-N |
| TotalMolweight | 237.171 |
| Molweight | 237.171 |
| MonoisotopicMass | 237.038572 |
| CLogP | 0.5768 |
| CLogS | -3.891 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 172.95 |
| Relative PSA | 0.49974 |
| PolarSurfaceArea | 105.74 |
| Druglikeness | -3.2511 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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