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Chemistry

Mol. Mass

616.93

ALogP

9.97

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(C)(C)c1cc(SC(C)(C)Sc2cc(c(OC(=O)CCC(=O)O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C
  • InChIKey: RKSMVPNZHBRNNS-UHFFFAOYSA-N
    InChI=1S/C35H52O5S2/c1-31(2,3)23-17-21(18-24(29(23)39)32(4,5)6)41-35(13,14)42-22-19-25(33(7,8)9)30(26(20-22)34(10,11)12)40-28(38)16-15-27(36)37/h17-20,39H,15-16H2,1-14H3,(H,36,37)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL83626   ChEMBL
succinobucol

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