icosabutate Report issue

Small molecule Experimental
AACT ChEMBL DrugBank PubChem

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Chemistry

Mol. Mass

374.57

ALogP

6.79

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CC)C(=O)O
  • InChIKey: VOGXDRFFBBLZBT-AAQCHOMXSA-N
    InChI=1S/C24H38O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-23(4-2)24(25)26/h5-6,8-9,11-12,14-15,17-18,23H,3-4,7,10,13,16,19-22H2,1-2H3,(H,25,26)/b6-5-,9-8-,12-11-,15-14-,18-17-
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3707220   ChEMBL
icosabutate

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