01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 16
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Isovanillic acid
- Molecular Formula
- C8H8O4
- Molecular Weight
- No data
- Canonical SMILES
- COC1=C(C=C(C=C1)C(=O)O)O
- Isomeric SMILES
- COC1=C(C=C(C=C1)C(=O)O)O
- InChI
- InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)
- Oral Bioavailability
- 39.424
- Drug Likeness
- 0.693
- 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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