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Chemistry

Mol. Mass

300.44

ALogP

5.6

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C\C(=C\C(=O)O)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
  • InChIKey: SHGAZHPCJJPHSC-XFYACQKRSA-N
    InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14-
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL547   ChEMBL
isotretinoin

Isotretinoin   Wikipedia

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