01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Zinc00407077
- Molecular Formula
- C9H14N2O
- Molecular Weight
- No data
- Canonical SMILES
- CCC(C)C1=NC=CN=C1OC
- Isomeric SMILES
- CC[C@@H](C)C1=NC=CN=C1OC
- InChI
- InChI=1S/C9H14N2O/c1-4-7(2)8-9(12-3)11-6-5-10-8/h5-7H,4H2,1-3H3/t7-/m1/s1
- Oral Bioavailability
- 42.106
- Drug Likeness
- 0.688
- 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