2-[(E)-benzylideneamino]-1-nitroguanidine
Formula:C8H9N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-benzylideneamino]-1-nitroguanidine is a drug-like molecule.
| MolName | 2-[(E)-benzylideneamino]-1-nitroguanidine |
| MolecularFormula | C8H9N5O2 |
| Smiles | N/C(/N[N+]([O-])=O)=N/N=C/c1ccccc1 |
| InChI | InChI=1S/C8H9N5O2/c9-8(12-13(14)15)11-10-6-7-4-2-1-3-5-7/h1-6H,(H3,9,11,12) |
| InChIK | YDMQMUIQNOZHAW-UHFFFAOYSA-N |
| TotalMolweight | 207.192 |
| Molweight | 207.192 |
| MonoisotopicMass | 207.075625 |
| CLogP | 0.6387 |
| CLogS | -3.799 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 164.64 |
| Relative PSA | 0.48694 |
| PolarSurfaceArea | 108.59 |
| Druglikeness | -0.83628 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde; N-nitro |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| 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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