01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 7
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (s)-bupropion
- Molecular Formula
- C13H18ClNO
- Molecular Weight
- No data
- Canonical SMILES
- CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C
- Isomeric SMILES
- C[C@@H](C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C
- InChI
- InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3/t9-/m0/s1
- Oral Bioavailability
- 33.391
- Drug Likeness
- 0.820
- 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.
Source Herbs
herb ingredient1 Herbs