2D Structure

1-Benzimidazolesulfonicacid?


  • SKU Code: CH141373
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Chemical Name - 1-Benzimidazolesulfonicacid?
Mol Weight - 198.202
Smiles - OS(n1c(cccc2)c2nc1)(=O)=O
Property Name Property Value
Mol Name1-Benzimidazolesulfonicacid?
Molweight198.202
Monoisotopic Mass198.009913
Clogp-1.4425
Clogs-3.429
H Acceptors5
H Donors1
Total Surface Area130.75
Relative Psa0.45522
Polar Surface Area80.57
Druglikeness1.5147
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.53846
Molecular Flexibility0.31855
Molecular Complexity0.72591
Fragments1
Non H Atoms13
Non Ch Atoms6
Electronegative Atoms6
Rotatable Bonds1
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms9
Sp3 Atoms2
Symmetric Atoms1
Aromatic Nitrogens2
Acidic Oxygens1
SmilesOS(n1c(cccc2)c2nc1)(=O)=O
InChIKeyInChI=1S/C7H6N2O3S/c10-13(11,12)9-5-8-6-3-1-2-4-7(6)9/h1-5H,(H,10,11,12)
InChIXTNSRWKEQCGCGJ-UHFFFAOYSA-N

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