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(Q1942)
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instance of
group of stereoisomers
0 references
SMILES (without stereochemistry)
C1CC(NC1)C2=CN=CC=C2
0 references
chemical formula
C₉H₁₂N₂
1 reference
based on heuristic
inferred from SMILES
mass
148.2053
1 reference
based on heuristic
inferred from SMILES
InChI
InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2
1 reference
based on heuristic
inferred from SMILES
InChIKey
MYKUKUCHPMASKF-UHFFFAOYSA-N
0 references
PubChem CID
412
1 reference
based on heuristic
inferred from InChIKey
xenobiotic metabolism pathway
WP1600
0 references