01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Secobarbital
- Molecular Formula
- C12H18N2O3
- Molecular Weight
- No data
- Canonical SMILES
- CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C
- Isomeric SMILES
- CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C
- InChI
- InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)
- Oral Bioavailability
- No data
- Drug Likeness
- 0.560
- 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