2-(cyclopentylideneamino)-1-nitroguanidine
Formula:C6H11N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(cyclopentylideneamino)-1-nitroguanidine is a drug-like molecule.
| MolName | 2-(cyclopentylideneamino)-1-nitroguanidine |
| MolecularFormula | C6H11N5O2 |
| Smiles | N/C(/N[N+]([O-])=O)=N\N=C1CCCC1 |
| InChI | InChI=1S/C6H11N5O2/c7-6(10-11(12)13)9-8-5-3-1-2-4-5/h1-4H2,(H3,7,9,10) |
| InChIK | XWMNQDHLEJZYCO-UHFFFAOYSA-N |
| TotalMolweight | 185.186 |
| Molweight | 185.186 |
| MonoisotopicMass | 185.091275 |
| CLogP | 0.0474 |
| CLogS | -3.391 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 144.63 |
| Relative PSA | 0.55431 |
| PolarSurfaceArea | 108.59 |
| Druglikeness | -4.2593 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; N-nitro |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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