01
Ingredients
2-[(2r,4ar,8as)-4a-methyl-8-methylene-decalin-2-yl]acrylic acid
C15H22O2
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 15
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 2-[(2r,4ar,8as)-4a-methyl-8-methylene-decalin-2-yl]acrylic acid
- Molecular Formula
- C15H22O2
- Molecular Weight
- No data
- Canonical SMILES
- CC12CCCC(=C)C1CC(CC2)C(=C)C(=O)O
- Isomeric SMILES
- C[C@]12CCCC(=C)[C@@H]1C[C@@H](CC2)C(=C)C(=O)O
- InChI
- InChI=1S/C15H22O2/c1-10-5-4-7-15(3)8-6-12(9-13(10)15)11(2)14(16)17/h12-13H,1-2,4-9H2,3H3,(H,16,17)/t12-,13+,15-/m1/s1
- Oral Bioavailability
- 30.833
- Drug Likeness
- 0.583
- 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
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