01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 14
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Theobromine
- Molecular Formula
- C7H8N4O2
- Molecular Weight
- No data
- Canonical SMILES
- CN1C=NC2=C1C(=O)NC(=O)N2C
- Isomeric SMILES
- CN1C=NC2=C1C(=O)NC(=O)N2C
- InChI
- InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
- Oral Bioavailability
- 69.287
- Drug Likeness
- 0.562
- DL Score
- No data
- Caco-2 Permeability
- No data
- ALogP
- No data
- Bioavailability Score
- No data
Identifiers
- InChI Key
- No data
- PubChem CID
- No data
Description and Extensions
- Toxicity Information
- No data
Related
Related Entities
Direct relations and traceable candidates grouped by relation type.
Active Targets
ingredient target8 Targets