01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 8
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Zinc00394787
- Molecular Formula
- C6H12O2
- Molecular Weight
- No data
- Canonical SMILES
- CCC(C)OC(=O)C
- Isomeric SMILES
- CC[C@@H](C)OC(=O)C
- InChI
- InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3/t5-/m1/s1
- Oral Bioavailability
- 40.152
- Drug Likeness
- 0.509
- 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.
Source Herbs
herb ingredient3 Herbs