01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 6
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 1,3-dimethylbutylbenzene
- Molecular Formula
- C12H18
- Molecular Weight
- No data
- Canonical SMILES
- CC(C)CC(C)C1=CC=CC=C1
- Isomeric SMILES
- CC(C)CC(C)C1=CC=CC=C1
- InChI
- InChI=1S/C12H18/c1-10(2)9-11(3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3
- Oral Bioavailability
- 37.049
- Drug Likeness
- 0.633
- 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