Epeleuton Report issue

Small molecule Experimental
AACT

Back

Chemistry

Mol. Mass

346.51

ALogP

5.44

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC/C=C\C[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)OCC
  • InChIKey: DJYKWMOPVZGTRJ-PILRRHKESA-N
    InChI=1S/C22H34O3/c1-3-5-15-18-21(23)19-16-13-11-9-7-6-8-10-12-14-17-20-22(24)25-4-2/h5-7,10-13,15-16,19,21,23H,3-4,8-9,14,17-18,20H2,1-2H3/b7-6-,12-10-,13-11-,15-5-,19-16+/t21-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL5095178   ChEMBL
epeleuton

Feedback

Data collection and curation is an ongoing process for CDEK - if you notice any information here to be missing or incorrect, please let us know! When possible, please include a source URL (we verify all data prior to inclusion).

Report issue