1H-benzimidazole-2-sulfonic acid
Formula:C7H6N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1H-benzimidazole-2-sulfonic acid is a drug-like molecule.
| MolName | 1H-benzimidazole-2-sulfonic acid |
| MolecularFormula | C7H6N2O3S |
| Smiles | OS(c1nc(cccc2)c2[nH]1)(=O)=O |
| InChI | InChI=1S/C7H6N2O3S/c10-13(11,12)7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H,8,9)(H,10,11,12) |
| InChIK | GWXQTTKUYBEZBP-UHFFFAOYSA-N |
| TotalMolweight | 198.202 |
| Molweight | 198.202 |
| MonoisotopicMass | 198.009913 |
| CLogP | -0.8984 |
| CLogS | -0.202 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 131.12 |
| Relative PSA | 0.50824 |
| PolarSurfaceArea | 91.43 |
| Druglikeness | -1.2672 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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