2-thiophen-2-yl-7H-purine-6-carboxylic acid
Formula:C10H6N4O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
2-thiophen-2-yl-7H-purine-6-carboxylic acid is a drug-like molecule.
| MolName | 2-thiophen-2-yl-7H-purine-6-carboxylic acid |
| MolecularFormula | C10H6N4O2S |
| Smiles | OC(c1c2[nH]cnc2nc(-c2cccs2)n1)=O |
| InChI | InChI=1S/C10H6N4O2S/c15-10(16)7-6-9(12-4-11-6)14-8(13-7)5-2-1-3-17-5/h1-4H,(H,15,16)(H,11,12,13,14) |
| InChIK | YBLJYBAPWGYUJP-UHFFFAOYSA-N |
| TotalMolweight | 246.25 |
| Molweight | 246.25 |
| MonoisotopicMass | 246.021146 |
| CLogP | 1.0141 |
| CLogS | -3.771 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 173.51 |
| Relative PSA | 0.5383 |
| PolarSurfaceArea | 120 |
| Druglikeness | 2.3786 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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