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Chemistry

Mol. Mass

344.34

ALogP

0.67

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: [Ca+2].Nc1ccc(C(=O)[O-])c(O)c1.Nc2ccc(C(=O)[O-])c(O)c2
  • InChIKey: XDWVNCOPMIEDJK-UHFFFAOYSA-L
    InChI=1S/2C7H7NO3.Ca/c2*8-4-1-2-5(7(10)11)6(9)3-4;/h2*1-3,9H,8H2,(H,10,11);/q;;+2/p-2
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2105983   ChEMBL
aminosalicylate calcium

4-Aminosalicylic acid   Wikipedia

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