01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 16
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Caffeine
- Molecular Formula
- C8H10N4O2
- Molecular Weight
- No data
- Canonical SMILES
- CN1C=NC2=C1C(=O)N(C(=O)N2C)C
- Isomeric SMILES
- CN1C=NC2=C1C(=O)N(C(=O)N2C)C
- InChI
- InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
- Oral Bioavailability
- 89.458
- Drug Likeness
- 0.538
- 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
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