7H-purine-6-sulfinic acid
Formula:C5H4N4O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
7H-purine-6-sulfinic acid is a drug-like molecule.
| MolName | 7H-purine-6-sulfinic acid |
| MolecularFormula | C5H4N4O2S |
| Smiles | OS(c1ncnc2c1[nH]cn2)=O |
| InChI | InChI=1S/C5H6N4O2S/c10-12(11)5-3-4(7-1-6-3)8-2-9-5/h1-2H,12H2,(H,10,11)(H,6,7,8,9) |
| InChIK | ABYQPDACLBMMIW-UHFFFAOYSA-N |
| TotalMolweight | 184.179 |
| Molweight | 184.179 |
| MonoisotopicMass | 184.005496 |
| CLogP | -1.9655 |
| CLogS | -1.266 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 122.78 |
| Relative PSA | 0.67373 |
| PolarSurfaceArea | 110.97 |
| Druglikeness | -0.25178 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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