
 CHEMBL62374

 44 47  0  0  0  0  0  0  0  0999 V2000
    2.3153    2.7250   -1.6758 C   0  0  0  0  0
    2.5455    2.8699   -0.1746 C   0  0  0  0  0
    1.2229    2.7712    0.5802 C   0  0  0  0  0
    3.3783    1.7985    0.2900 O   0  0  0  0  0
    4.7327    1.9397    0.1598 C   0  0  0  0  0
    5.4446    0.7463   -0.0289 C   0  0  0  0  0
    6.8455    0.7399   -0.1432 C   0  0  0  0  0
    7.5119    1.9649   -0.0367 C   0  0  0  0  0
    6.8125    3.1563    0.1511 C   0  0  0  0  0
    5.4243    3.1430    0.2639 C   0  0  0  0  0
    8.8714    2.0872   -0.0940 O   0  0  0  0  0
    9.6388    0.9045    0.2124 C   0  0  0  0  0
    8.9739   -0.3953   -0.1527 C   0  0  0  0  0
    7.6488   -0.4763   -0.3624 C   0  0  0  0  0
    6.8511   -1.8938   -0.9496 Cl  0  0  0  0  0
    9.9286   -1.4951   -0.3686 C   0  0  0  0  0
   11.0494   -1.3680   -0.8374 O   0  0  0  0  0
    9.5046   -2.6772    0.1010 O   0  0  0  0  0
   10.0953    0.9858    1.6684 C   0  0  0  0  0
   11.4705    1.0446    1.9624 C   0  0  0  0  0
   11.8543    1.1820    3.2810 C   0  0  0  0  0
   10.9374    1.2525    4.3017 C   0  0  0  0  0
    9.5846    1.1791    4.0640 C   0  0  0  0  0
    9.1639    1.0411    2.7370 C   0  0  0  0  0
   11.5231    1.4045    5.5190 O   0  0  0  0  0
   12.9162    1.4327    5.1463 C   0  0  0  0  0
   13.1351    1.2768    3.7286 O   0  0  0  0  0
    3.2635    2.7657   -2.2221 H   0  0  0  0  0
    1.6657    3.5205   -2.0539 H   0  0  0  0  0
    1.8574    1.7577   -1.9107 H   0  0  0  0  0
    2.9629    3.8559    0.0447 H   0  0  0  0  0
    0.7340    1.8078    0.3999 H   0  0  0  0  0
    0.5390    3.5734    0.2858 H   0  0  0  0  0
    1.3962    2.8412    1.6597 H   0  0  0  0  0
    4.8760   -0.1799   -0.0800 H   0  0  0  0  0
    7.3557    4.0938    0.2420 H   0  0  0  0  0
    4.9253    4.0833    0.4663 H   0  0  0  0  0
   10.5249    1.0214   -0.4249 H   0  0  0  0  0
   10.2380   -3.2973   -0.0932 H   0  0  0  0  0
   12.2234    1.0010    1.1812 H   0  0  0  0  0
    8.8694    1.2388    4.8767 H   0  0  0  0  0
    8.0944    0.9967    2.5435 H   0  0  0  0  0
   13.3447    2.3906    5.4638 H   0  0  0  0  0
   13.4352    0.6238    5.6728 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  7  8  2  0  0  0
  7 14  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 36  1  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 19  1  0  0  0
 12 38  1  0  0  0
 13 14  2  0  0  0
 13 16  1  0  0  0
 14 15  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 39  1  0  0  0
 19 24  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 40  1  0  0  0
 21 27  1  0  0  0
 21 22  2  0  0  0
 22 25  1  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
 23 41  1  0  0  0
 24 42  1  0  0  0
 25 26  1  0  0  0
 26 27  1  0  0  0
 26 43  1  0  0  0
 26 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL62374

>  <PubChem CID>
11058202

>  <Formula>
C20H17ClO6

>  <Molecular Weight>
388.800000

>  <IUPAC Name>
2-(1,3-benzodioxol-5-yl)-4-chloro-6-propan-2-yloxy-2H-chromene-3-carboxylic acid

>  <XlogP>
4.100

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)OC1=CC2=C(C=C1)OC(C(=C2Cl)C(=O)O)C3=CC4=C(C=C3)OCO4

>  <Isomeric SMILES>
CC(C)OC1=CC2=C(C=C1)OC(C(=C2Cl)C(=O)O)C3=CC4=C(C=C3)OCO4

>  <InChI Std. ID>
InChI=1S/C20H17ClO6/c1-10(2)26-12-4-6-14-13(8-12)18(21)17(20(22)23)19(27-14)11-3-5-15-16(7-11)25-9-24-15/h3-8,10,19H,9H2,1-2H3,(H,22,23)

>  <InChI Key>
FSPZCXDXOYLYCH-UHFFFAOYSA-N

