N'-amino-3-nitrobenzenecarboximidamide
Formula:C7H8N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-amino-3-nitrobenzenecarboximidamide is a drug-like molecule.
| MolName | N'-amino-3-nitrobenzenecarboximidamide |
| MolecularFormula | C7H8N4O2 |
| Smiles | N/C(/c1cccc([N+]([O-])=O)c1)=N/N |
| InChI | InChI=1S/C7H8N4O2/c8-7(10-9)5-2-1-3-6(4-5)11(12)13/h1-4H,9H2,(H2,8,10) |
| InChIK | WRELWPPFMNBQOE-UHFFFAOYSA-N |
| TotalMolweight | 180.167 |
| Molweight | 180.167 |
| MonoisotopicMass | 180.064726 |
| CLogP | -0.8173 |
| CLogS | -2.618 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 136.94 |
| Relative PSA | 0.52921 |
| PolarSurfaceArea | 110.22 |
| Druglikeness | -8.2019 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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