01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Betonicine
- Molecular Formula
- C7H13NO3
- Molecular Weight
- No data
- Canonical SMILES
- C[N+]1(CC(CC1C(=O)[O-])O)C
- Isomeric SMILES
- C[N+]1(C[C@@H](C[C@H]1C(=O)[O-])O)C
- InChI
- InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6+/m1/s1
- Oral Bioavailability
- 69.549
- Drug Likeness
- 0.448
- 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.