
 SCHEMBL6117454

 40 43  0  0  0  0  0  0  0  0999 V2000
    3.0871   -1.1118   -0.4147 C   0  0  0  0  0
    2.5677    0.1195   -0.9030 O   0  0  0  0  0
    3.3297    1.2345   -0.6573 C   0  0  0  0  0
    2.6616    2.4590   -0.5455 C   0  0  0  0  0
    3.3566    3.6543   -0.3161 C   0  0  0  0  0
    4.7574    3.5999   -0.2088 C   0  0  0  0  0
    5.4472    2.3972   -0.3402 C   0  0  0  0  0
    4.7286    1.2036   -0.5706 C   0  0  0  0  0
    6.8270    2.6942   -0.2125 C   0  0  0  0  0
    6.9755    4.0531    0.0008 C   0  0  0  0  0
    5.7025    4.5973    0.0140 N   0  0  0  0  0
    5.3429    5.9955    0.2291 C   0  0  0  0  0
    5.3891    6.7820   -1.0319 C   0  0  0  0  0
    6.1021    6.6886   -2.2106 C   0  0  0  0  0
    5.6880    7.7720   -3.0199 C   0  0  0  0  0
    4.7402    8.4725   -2.2986 C   0  0  0  0  0
    4.5641    7.8690   -1.0806 O   0  0  0  0  0
    3.9878    9.6491   -2.6431 C   0  0  0  0  0
    4.0486   10.2930   -3.6819 O   0  0  0  0  0
    3.1386   10.0244   -1.6612 O   0  0  0  0  0
    8.3115    4.7157    0.1504 C   0  0  0  0  0
    8.5941    6.0454    0.3725 C   0  0  0  0  0
    9.9374    6.2530    0.4353 O   0  0  0  0  0
   10.5304    5.0496    0.2476 C   0  0  0  0  0
    9.5797    4.0732    0.0692 C   0  0  0  0  0
    0.9360    2.5512   -0.6641 Cl  0  0  0  0  0
    2.2873   -1.8564   -0.4721 H   0  0  0  0  0
    3.3934   -1.0297    0.6338 H   0  0  0  0  0
    3.9127   -1.4651   -1.0400 H   0  0  0  0  0
    2.8153    4.5915   -0.2318 H   0  0  0  0  0
    5.2855    0.2824   -0.6974 H   0  0  0  0  0
    7.6285    1.9706   -0.2803 H   0  0  0  0  0
    5.9982    6.4080    0.9982 H   0  0  0  0  0
    4.3358    6.0233    0.6592 H   0  0  0  0  0
    6.8332    5.9307   -2.4605 H   0  0  0  0  0
    6.0309    8.0205   -4.0156 H   0  0  0  0  0
    2.6996   10.8157   -2.0314 H   0  0  0  0  0
    8.0125    6.9451    0.5004 H   0  0  0  0  0
   11.6114    5.0513    0.2645 H   0  0  0  0  0
    9.7867    3.0276   -0.1064 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
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  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  2  0  0  0
  5 30  1  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  8 31  1  0  0  0
  9 10  2  0  0  0
  9 32  1  0  0  0
 10 11  1  0  0  0
 10 21  1  0  0  0
 11 12  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL6117454

>  <PubChem CID>
50908090

>  <Formula>
C19H14ClNO5

>  <Molecular Weight>
371.773000

>  <IUPAC Name>
5-[[6-chloro-2-(furan-3-yl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=C(C=C2C(=C1)C=C(N2CC3=CC=C(O3)C(=O)O)C4=COC=C4)Cl

>  <Isomeric SMILES>
COC1=C(C=C2C(=C1)C=C(N2CC3=CC=C(O3)C(=O)O)C4=COC=C4)Cl

>  <InChI Std. ID>
InChI=1S/C19H14ClNO5/c1-24-18-7-12-6-15(11-4-5-25-10-11)21(16(12)8-14(18)20)9-13-2-3-17(26-13)19(22)23/h2-8,10H,9H2,1H3,(H,22,23)

>  <InChI Key>
NPLRLZMOUSTGKG-UHFFFAOYSA-N

