01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 16
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Dibp
- Molecular Formula
- C16H22O4
- Molecular Weight
- No data
- Canonical SMILES
- CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C
- Isomeric SMILES
- CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C
- InChI
- InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
- Oral Bioavailability
- 49.634
- Drug Likeness
- 0.749
- 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.
Active Targets
ingredient target8 Targets