2-(cyclohexylideneamino)-1-nitroguanidine
Formula:C7H13N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(cyclohexylideneamino)-1-nitroguanidine is a drug-like molecule.
| MolName | 2-(cyclohexylideneamino)-1-nitroguanidine |
| MolecularFormula | C7H13N5O2 |
| Smiles | N/C(/N[N+]([O-])=O)=N\N=C1CCCCC1 |
| InChI | InChI=1S/C7H13N5O2/c8-7(11-12(13)14)10-9-6-4-2-1-3-5-6/h1-5H2,(H3,8,10,11) |
| InChIK | DANGWJHGWYNEIT-UHFFFAOYSA-N |
| TotalMolweight | 199.213 |
| Molweight | 199.213 |
| MonoisotopicMass | 199.106925 |
| CLogP | 0.3894 |
| CLogS | -3.661 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 158.39 |
| Relative PSA | 0.50616 |
| PolarSurfaceArea | 108.59 |
| Druglikeness | -6.8793 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; N-nitro |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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