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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Caffeine

C8H10N4O2

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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
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