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Chemistry

Mol. Mass

283.39

ALogP

2.06

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)NS(=O)(=O)C
  • InChIKey: KQDRVXQXKZXMHP-LLVKDONJSA-N
    InChI=1S/C14H21NO3S/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15-19(4,17)18/h5-8,10-11H,9H2,1-4H3,(H,15,16)/t11-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL191413   ChEMBL
reparixin

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