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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

2-benzyl-2-isopropenylmalononitrile

C13H12N2

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Entity Type
Ingredients
Relation Groups
2
Relation Preview
9

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
2-benzyl-2-isopropenylmalononitrile
Molecular Formula
C13H12N2
Molecular Weight
No data
Canonical SMILES
CC(=C)C(CC1=CC=CC=C1)(C#N)C#N
Isomeric SMILES
CC(=C)C(CC1=CC=CC=C1)(C#N)C#N
InChI
InChI=1S/C13H12N2/c1-11(2)13(9-14,10-15)8-12-6-4-3-5-7-12/h3-7H,1,8H2,2H3
Oral Bioavailability
52.436
Drug Likeness
0.698
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 HerbsActive Targets

Active Targets

ingredient target8 Targets
GraphMore Targets
01
ACHE
acetylcholinesterase (Cartwright blood group)
acetylcholinesterase (Cartwright blood group)
DetailsGraph