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Chemistry

Mol. Mass

180.164

ALogP

-1.04

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C
  • InChIKey: YAPQBXQYLJRXSA-UHFFFAOYSA-N
    1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1114   ChEMBL
theobromine

OBD445WZ5P   NCATS
theobromine *

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