beta-caryophyllene Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

204.36

ALogP

4.73

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C=C1CC/C=C(\C)CC[C@@H]2[C@@H]1CC2(C)C
  • InChIKey: NPNUFJAVOOONJE-GFUGXAQUSA-N
    InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL445740   ChEMBL
beta-caryophyllene

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