2-(hydroxymethyl)-1-nitroguanidine
Formula:C2H6N4O3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
2-(hydroxymethyl)-1-nitroguanidine is a drug-like molecule.
| MolName | 2-(hydroxymethyl)-1-nitroguanidine |
| MolecularFormula | C2H6N4O3 |
| Smiles | N/C(/N[N+]([O-])=O)=N/CO |
| InChI | InChI=1S/C2H6N4O3/c3-2(4-1-7)5-6(8)9/h7H,1H2,(H3,3,4,5) |
| InChIK | ZNVQXRRMIMPYHY-UHFFFAOYSA-N |
| TotalMolweight | 134.095 |
| Molweight | 134.095 |
| MonoisotopicMass | 134.043991 |
| CLogP | -2.536 |
| CLogS | -1.985 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 100.23 |
| Relative PSA | 0.81572 |
| PolarSurfaceArea | 116.46 |
| Druglikeness | -3.3997 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | formaldehyde aduct; N-nitro |
| Shape Index | 0.77778 |
| Fragments | 1 |
| Non HAtoms | 9 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Sp3Atoms | 3 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(hydroxymethyl)-1-nitroguanidine | 2 - 2-(hydroxymethyl)-1-nitroguanidine
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