01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 6
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Lignin
- Molecular Formula
- C18H13N3Na2O8S2
- Molecular Weight
- No data
- Canonical SMILES
- CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)[O-])C=C(C(=C2O)N=NC3=CC=CC=C3)S(=O)(=O)[O-].[Na+].[Na+]
- Isomeric SMILES
- CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)[O-])C=C(C(=C2O)N=NC3=CC=CC=C3)S(=O)(=O)[O-].[Na+].[Na+]
- InChI
- InChI=1S/C18H15N3O8S2.2Na/c1-10(22)19-13-7-8-14(30(24,25)26)12-9-15(31(27,28)29)17(18(23)16(12)13)21-20-11-5-3-2-4-6-11;;/h2-9,23H,1H3,(H,19,22)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2
- Oral Bioavailability
- No data
- Drug Likeness
- 0.204
- 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 target1 Targets