4CR5_0TU_A_1489
  RCSB PDB12061712053D
Coordinates from PDB:4CR5:A:1489 Model:1 without hydrogens
  1  0  0  0  0  0            999 V2000
  -20.6930  -45.1470  -12.4050  Cl 0  0  0  0  0  0  0  0  0  0  0  0
A    1
CL
M  END
>  <InstanceId>
4CR5_0TU_A_1489

>  <ChemCompId>
0TU

>  <PdbId>
4CR5

>  <ChainId>
A

>  <ResidueNumber>
1489

>  <InsertionCode>


>  <Model>
1

>  <AltIds>


>  <MissingHeavyAtoms>
11

>  <ObservedFormula>
Cl

>  <Name>
6-chloroquinolin-2(1H)-one

>  <SystematicName>
6-chloranyl-1H-quinolin-2-one

>  <Synonyms>


>  <Type>
NON-POLYMER

>  <Formula>
C9 H6 Cl N O

>  <MolecularWeight>
179.603

>  <ModifiedDate>
2015-02-06

>  <Parent>


>  <OneLetterCode>


>  <SubcomponentList>


>  <AmbiguousFlag>
N

>  <InChI>
InChI=1S/C9H6ClNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5H,(H,11,12)

>  <InChIKey>
OJEBWFGRUPIVSD-UHFFFAOYSA-N

>  <SMILES>
c1cc2c(cc1Cl)C=CC(=O)N2

$$$$
