01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 1,1-diethylpropylbenzene
- Molecular Formula
- C13H20
- Molecular Weight
- No data
- Canonical SMILES
- CCC(CC)(CC)C1=CC=CC=C1
- Isomeric SMILES
- CCC(CC)(CC)C1=CC=CC=C1
- InChI
- InChI=1S/C13H20/c1-4-13(5-2,6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
- Oral Bioavailability
- 51.152
- Drug Likeness
- 0.646
- 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 ingredient1 Herbs