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(Q82026649)
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English
4-(1h-indol-3-yl)butan-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
187.099714036
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₃NO
0 references
canonical SMILES
CC(=O)CCC1=CNC2=CC=CC=C21
0 references
Identifiers
InChI
InChI=1S/C12H13NO/c1-9(14)6-7-10-8-13-12-5-3-2-4-11(10)12/h2-5,8,13H,6-7H2,1H3
0 references
InChIKey
ZJCUUXGLZWBCIL-UHFFFAOYSA-N
0 references
CAS Registry Number
5541-89-9
0 references
PubChem CID
246918
1 reference
matched by identifier from
InChIKey
InChIKey
ZJCUUXGLZWBCIL-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL1250315
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZJCUUXGLZWBCIL-UHFFFAOYSA-N
UniChem compound ID
16714923
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20289375
1 reference
matched by identifier from
InChIKey
InChIKey
ZJCUUXGLZWBCIL-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60240521
0 references
NSC number
60564
0 references
PDB ligand ID
9BF
0 references
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