thymoquinone Report issue

Small molecule Experimental

Back

Chemistry

Mol. Mass

164.2

ALogP

1.67

Rule of 5

Yes

Rule of 3

Yes
Details
  • SMILES: CC1=CC(=O)C(C(C)C)=CC1=O
  • InChIKey: KEQHJBNSCLWCAE-UHFFFAOYSA-N
    InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1672002   ChEMBL
thymoquinone

Thymoquinone   Wikipedia

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