01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Datumetine
- Molecular Formula
- C16H21NO3
- Molecular Weight
- No data
- Canonical SMILES
- CN1C2CCC1CC(C2)C3=C(C=CC(=C3)C(=O)O)OC
- Isomeric SMILES
- CN1C2CCC1CC(C2)C3=C(C=CC(=C3)C(=O)O)OC
- InChI
- InChI=1S/C16H21NO3/c1-17-12-4-5-13(17)8-11(7-12)14-9-10(16(18)19)3-6-15(14)20-2/h3,6,9,11-13H,4-5,7-8H2,1-2H3,(H,18,19)
- Oral Bioavailability
- 84.736
- Drug Likeness
- 0.921
- 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
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