01
- Entity Type
- Ingredients
- Relation Groups
- 4
- Relation Preview
- 14
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Trans-ionone
- Molecular Formula
- C13H20O
- Molecular Weight
- No data
- Canonical SMILES
- CC1=CCCC(C1C=CC(=O)C)(C)C
- Isomeric SMILES
- CC1=CCCC([C@@H]1/C=C\C(=O)C)(C)C
- InChI
- InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7-/t12-/m1/s1
- Oral Bioavailability
- 40.602
- Drug Likeness
- 0.483
- 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.