01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 16
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Isovanillin
- Molecular Formula
- C8H8O3
- Molecular Weight
- No data
- Canonical SMILES
- COC1=C(C=C(C=C1)C=O)O
- Isomeric SMILES
- COC1=C(C=C(C=C1)C=O)O
- InChI
- InChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3
- Oral Bioavailability
- 31.006
- Drug Likeness
- 0.648
- 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
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Direct relations and traceable candidates grouped by relation type.
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