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Small molecule Experimental
AACT ChEMBL DrugBank Drug Central KEGG MeSH PubChem

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Chemistry

Mol. Mass

246.31

ALogP

1.67

Rule of 5

Yes

Rule of 3

Yes
Details
  • SMILES: CC1=C(CO)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1
  • InChIKey: NICJCIQSJJKZAH-AWEZNQCLSA-N
    InChI=1S/C15H18O3/c1-8-6-10-12(11(8)7-16)9(2)15(4-5-15)14(3,18)13(10)17/h6,16,18H,4-5,7H2,1-3H3/t14-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL118218   ChEMBL
irofulven

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