
 SCHEMBL3308640

 42 45  0  0  0  0  0  0  0  0999 V2000
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   -1.1406    1.9990   -2.5184 C   0  0  0  0  0
   -0.0465    2.7961   -2.8119 C   0  0  0  0  0
    1.1460    2.1742   -3.1861 C   0  0  0  0  0
    1.2310    0.7753   -3.2507 C   0  0  0  0  0
    0.1250   -0.0191   -2.9410 C   0  0  0  0  0
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   -2.3492   -0.0349   -2.1842 C   0  0  0  0  0
   -3.3609    1.1495   -2.2190 C   0  0  0  0  0
   -4.0813    1.1564   -3.5967 C   0  0  0  0  0
   -3.7730    1.8689   -4.5422 O   0  0  0  0  0
   -5.0672    0.2324   -3.7248 O   0  0  0  0  0
   -4.3375    1.0992   -1.1028 N   0  0  0  0  0
   -5.0744    0.0048   -0.7345 C   0  0  0  0  0
   -5.0540   -1.0231   -1.4051 O   0  0  0  0  0
   -5.9157    0.1181    0.4876 C   0  0  0  0  0
   -6.2137   -1.0721    1.1627 C   0  0  0  0  0
   -6.9750   -1.0328    2.3229 C   0  0  0  0  0
   -7.4518    0.1706    2.8299 C   0  0  0  0  0
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   -7.9771    3.4980    0.2668 H   0  0  0  0  0
   -8.7670    2.7618    2.4798 H   0  0  0  0  0
   -7.5419    2.7371    3.7695 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL3308640

>  <PubChem CID>
59314380

>  <Formula>
C19H16FNO5

>  <Molecular Weight>
357.337000

>  <IUPAC Name>
2-[(6-fluoro-4H-1,3-benzodioxine-8-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1C2=CC=CC=C2CC1(C(=O)O)NC(=O)C3=CC(=CC4=C3OCOC4)F

>  <Isomeric SMILES>
C1C2=CC=CC=C2CC1(C(=O)O)NC(=O)C3=CC(=CC4=C3OCOC4)F

>  <InChI Std. ID>
InChI=1S/C19H16FNO5/c20-14-5-13-9-25-10-26-16(13)15(6-14)17(22)21-19(18(23)24)7-11-3-1-2-4-12(11)8-19/h1-6H,7-10H2,(H,21,22)(H,23,24)

>  <InChI Key>
ZJZLMAIBXQTSLO-UHFFFAOYSA-N

