2-anilino-1-nitroguanidine
Formula:C7H9N5O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-anilino-1-nitroguanidine is a drug-like molecule.
| MolName | 2-anilino-1-nitroguanidine |
| MolecularFormula | C7H9N5O2 |
| Smiles | N/C(/N[N+]([O-])=O)=N\Nc1ccccc1 |
| InChI | InChI=1S/C7H9N5O2/c8-7(11-12(13)14)10-9-6-4-2-1-3-5-6/h1-5,9H,(H3,8,10,11) |
| InChIK | MCLGHWONVQHBKG-UHFFFAOYSA-N |
| TotalMolweight | 195.181 |
| Molweight | 195.181 |
| MonoisotopicMass | 195.075625 |
| CLogP | 0.694 |
| CLogS | -2.816 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 151.34 |
| Relative PSA | 0.5294 |
| PolarSurfaceArea | 108.26 |
| Druglikeness | -1.6814 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | N-nitro |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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