
 SCHEMBL3309533

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   -0.4952    0.1060   -1.8214 N   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL3309533

>  <PubChem CID>
25160280

>  <Formula>
C21H18Cl2FNO4

>  <Molecular Weight>
438.276000

>  <IUPAC Name>
2-[(3,5-dichloro-2-cyclobutyloxybenzoyl)amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(C1)OC2=C(C=C(C=C2C(=O)NC3(CC4=C(C3)C=C(C=C4)F)C(=O)O)Cl)Cl

>  <Isomeric SMILES>
C1CC(C1)OC2=C(C=C(C=C2C(=O)NC3(CC4=C(C3)C=C(C=C4)F)C(=O)O)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C21H18Cl2FNO4/c22-13-7-16(18(17(23)8-13)29-15-2-1-3-15)19(26)25-21(20(27)28)9-11-4-5-14(24)6-12(11)10-21/h4-8,15H,1-3,9-10H2,(H,25,26)(H,27,28)

>  <InChI Key>
KXMYCMOTDIYDMS-UHFFFAOYSA-N

