1-N',3-N'-dihydroxypropanediimidamide
Formula:C3H8N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-N',3-N'-dihydroxypropanediimidamide is a drug-like molecule.
| MolName | 1-N',3-N'-dihydroxypropanediimidamide |
| MolecularFormula | C3H8N4O2 |
| Smiles | N/C(/C/C(/N)=N\O)=N/O |
| InChI | InChI=1S/C3H8N4O2/c4-2(6-8)1-3(5)7-9/h8-9H,1H2,(H2,4,6)(H2,5,7) |
| InChIK | USZCEMAXQGZEEK-UHFFFAOYSA-N |
| TotalMolweight | 132.123 |
| Molweight | 132.123 |
| MonoisotopicMass | 132.064726 |
| CLogP | -0.6738 |
| CLogS | -1.106 |
| H Acceptors | 6 |
| H Donors | 4 |
| TotalSurfaceArea | 102.94 |
| Relative PSA | 0.77482 |
| PolarSurfaceArea | 117.22 |
| Druglikeness | -1.7097 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.77778 |
| Fragments | 1 |
| Non HAtoms | 9 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 1-N',3-N'-dihydroxypropanediimidamide | 2 - 1-N',3-N'-dihydroxypropanediimidamide
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