7H-purin-6-ylmethyl carbamimidothioate
Formula:C7H8N6S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
7H-purin-6-ylmethyl carbamimidothioate is a drug-like molecule.
| MolName | 7H-purin-6-ylmethyl carbamimidothioate |
| MolecularFormula | C7H8N6S |
| Smiles | NC(SCc1ncnc2c1[nH]cn2)=N |
| InChI | InChI=1S/C7H8N6S/c8-7(9)14-1-4-5-6(12-2-10-4)13-3-11-5/h2-3H,1H2,(H3,8,9)(H,10,11,12,13) |
| InChIK | DNTDOUMPIFCXMP-UHFFFAOYSA-N |
| TotalMolweight | 208.249 |
| Molweight | 208.249 |
| MonoisotopicMass | 208.053114 |
| CLogP | -0.6277 |
| CLogS | -2.18 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 153.79 |
| Relative PSA | 0.61942 |
| PolarSurfaceArea | 129.63 |
| Druglikeness | 0.80975 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 2 |
| StereoCon |
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