01
Ingredients
2-[(4r,4as)-4,7-dimethyl-2,3,4,4a,5,6-hexahydronaphthalen-1-yl]acrylic acid
C15H20O2
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 8
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 2-[(4r,4as)-4,7-dimethyl-2,3,4,4a,5,6-hexahydronaphthalen-1-yl]acrylic acid
- Molecular Formula
- C15H20O2
- Molecular Weight
- No data
- Canonical SMILES
- CC1CCC(=C2C1CCC(=C2)C)C(=C)C(=O)O
- Isomeric SMILES
- C[C@@H]1CCC(=C2[C@H]1CCC(=C2)C)C(=C)C(=O)O
- InChI
- InChI=1S/C15H20O2/c1-9-4-6-12-10(2)5-7-13(14(12)8-9)11(3)15(16)17/h8,10,12H,3-7H2,1-2H3,(H,16,17)/t10-,12+/m1/s1
- Oral Bioavailability
- 55.712
- Drug Likeness
- 0.737
- 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.