01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 11
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Theophylline
- Molecular Formula
- C7H8N4O2
- Molecular Weight
- No data
- Canonical SMILES
- CN1C2=C(C(=O)N(C1=O)C)NC=N2
- Isomeric SMILES
- CN1C2=C(C(=O)N(C1=O)C)NC=N2
- InChI
- InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
- Oral Bioavailability
- No data
- 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.