1,2-dihydroxyguanidine
Formula:CH5N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1,2-dihydroxyguanidine is a drug-like molecule.
| MolName | 1,2-dihydroxyguanidine |
| MolecularFormula | CH5N3O2 |
| Smiles | N/C(/NO)=N/O |
| InChI | InChI=1S/CH5N3O2/c2-1(3-5)4-6/h5-6H,(H3,2,3,4) |
| InChIK | CGCNACTXBAFLSB-UHFFFAOYSA-N |
| TotalMolweight | 91.0697 |
| Molweight | 91.0697 |
| MonoisotopicMass | 91.038177 |
| CLogP | -0.8146 |
| CLogS | -1.372 |
| H Acceptors | 5 |
| H Donors | 4 |
| TotalSurfaceArea | 69.15 |
| Relative PSA | 0.93189 |
| PolarSurfaceArea | 90.87 |
| Druglikeness | -0.79983 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.83333 |
| Fragments | 1 |
| Non HAtoms | 6 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - 1,2-dihydroxyguanidine | 2 - 1,2-dihydroxyguanidine
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