paraxanthine Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

180.17

ALogP

-1.04

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: Cn1c(=O)[nH]c2ncn(C)c2c1=O
  • InChIKey: QUNWUDVFRNGTCO-UHFFFAOYSA-N
    InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1158   ChEMBL
paraxanthine

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