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Chem 8 Hydroxyquinoline 5 Sulfonic Acid | Cheminformatics

8-Hydroxyquinoline 5-Sulfonic Acid


  • SKU Code: CH137221
Chemical Name - 8-Hydroxyquinoline 5-Sulfonic Acid
Mol Weight - 225.224
Smiles - Oc(c1ncccc11)ccc1S(O)(=O)=O
Property Name Property Value
Mol Name8-Hydroxyquinoline 5-Sulfonic Acid
Molweight225.224
Monoisotopic Mass225.009579
Clogp-0.5994
Clogs-0.632
H Acceptors5
H Donors2
Total Surface Area147.9
Relative Psa0.44456
Polar Surface Area95.87
Druglikeness-2.6356
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.46667
Molecular Flexibility0.30454
Molecular Complexity0.78354
Fragments1
Non H Atoms15
Non Ch Atoms6
Electronegative Atoms6
Rotatable Bonds1
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms10
Sp3 Atoms3
Symmetric Atoms1
Aromatic Nitrogens1
Acidic Oxygens1
SmilesOc(c1ncccc11)ccc1S(O)(=O)=O
InChIKeyInChI=1S/C9H7NO4S/c11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7/h1-5,11H,(H,12,13,14)
InChILGDFHDKSYGVKDC-UHFFFAOYSA-N

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