01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 15
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 3-butylidene-phalide
- Molecular Formula
- C12H12O2
- Molecular Weight
- No data
- Canonical SMILES
- CCCC=C1C2=CC=CC=C2C(=O)O1
- Isomeric SMILES
- CCCC=C1C2=CC=CC=C2C(=O)O1
- InChI
- InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3
- Oral Bioavailability
- No data
- Drug Likeness
- 0.667
- 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.
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