
 CHEMBL1973416

 48 52  0  0  0  0  0  0  0  0999 V2000
    0.5042    6.8276   -3.7841 C   0  0  0  0  0
    0.9105    7.3717   -2.5339 O   0  0  0  0  0
    2.0495    6.8444   -1.9909 C   0  0  0  0  0
    2.2001    7.0530   -0.6184 C   0  0  0  0  0
    3.3188    6.5589    0.0539 C   0  0  0  0  0
    4.3089    5.8758   -0.6510 C   0  0  0  0  0
    4.1652    5.6634   -2.0231 C   0  0  0  0  0
    3.0393    6.1547   -2.6928 C   0  0  0  0  0
    5.3698    5.4119    0.0917 O   0  0  0  0  0
    6.6155    5.3591   -0.5176 C   0  0  0  0  0
    7.3997    6.4300   -0.6695 C   0  0  0  0  0
    8.7247    6.2173   -1.2556 C   0  0  0  0  0
    9.2147    5.0770   -1.6085 N   0  0  0  0  0
    8.4087    3.9611   -1.4500 N   0  0  0  0  0
    7.1225    4.0139   -0.9227 C   0  0  0  0  0
    6.3976    3.0275   -0.7938 O   0  0  0  0  0
    9.0007    2.6425   -1.7780 C   0  0  0  0  0
    9.8575    2.7011   -3.0256 C   0  0  0  0  0
    9.2798    2.8747   -4.2946 C   0  0  0  0  0
   10.0888    2.9801   -5.4282 C   0  0  0  0  0
   11.4751    2.9194   -5.3050 C   0  0  0  0  0
   12.0557    2.7456   -4.0481 C   0  0  0  0  0
   11.2481    2.6296   -2.9151 C   0  0  0  0  0
   11.9028    2.4508   -1.7197 O   0  0  0  0  0
   11.1643    2.0471   -0.6336 C   0  0  0  0  0
   11.8901    1.5712    0.4612 C   0  0  0  0  0
   11.2249    1.1062    1.5951 C   0  0  0  0  0
    9.8329    1.1179    1.6354 C   0  0  0  0  0
    9.1072    1.6041    0.5467 C   0  0  0  0  0
    9.7682    2.0837   -0.5972 C   0  0  0  0  0
    6.9878    8.0272   -0.2025 Cl  0  0  0  0  0
   -0.4836    7.2348   -4.0201 H   0  0  0  0  0
    0.4122    5.7374   -3.7302 H   0  0  0  0  0
    1.1866    7.1271   -4.5859 H   0  0  0  0  0
    1.4335    7.5915   -0.0670 H   0  0  0  0  0
    3.4167    6.7126    1.1252 H   0  0  0  0  0
    4.9037    5.1035   -2.5886 H   0  0  0  0  0
    2.9658    5.9848   -3.7618 H   0  0  0  0  0
    9.3473    7.1169   -1.3921 H   0  0  0  0  0
    8.1901    1.9324   -1.9916 H   0  0  0  0  0
    8.2007    2.9429   -4.4000 H   0  0  0  0  0
    9.6365    3.1200   -6.4069 H   0  0  0  0  0
   12.1063    3.0097   -6.1851 H   0  0  0  0  0
   13.1363    2.6984   -3.9507 H   0  0  0  0  0
   12.9758    1.5527    0.4241 H   0  0  0  0  0
   11.7915    0.7292    2.4421 H   0  0  0  0  0
    9.3099    0.7488    2.5141 H   0  0  0  0  0
    8.0200    1.6012    0.5964 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  5  6  2  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 37  1  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 12 13  2  0  0  0
 12 39  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 17 30  1  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
 20 21  2  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 22 23  2  0  0  0
 22 44  1  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 25 26  2  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
 26 45  1  0  0  0
 27 28  2  0  0  0
 27 46  1  0  0  0
 28 29  1  0  0  0
 28 47  1  0  0  0
 29 30  2  0  0  0
 29 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1973416

>  <PubChem CID>
53230285

>  <Formula>
C24H17ClN2O4

>  <Molecular Weight>
432.860000

>  <IUPAC Name>
5-chloro-4-(4-methoxyphenoxy)-2-(9H-xanthen-9-yl)pyridazin-3-one

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC=C(C=C1)OC2=C(C=NN(C2=O)C3C4=CC=CC=C4OC5=CC=CC=C35)Cl

>  <Isomeric SMILES>
COC1=CC=C(C=C1)OC2=C(C=NN(C2=O)C3C4=CC=CC=C4OC5=CC=CC=C35)Cl

>  <InChI Std. ID>
InChI=1S/C24H17ClN2O4/c1-29-15-10-12-16(13-11-15)30-23-19(25)14-26-27(24(23)28)22-17-6-2-4-8-20(17)31-21-9-5-3-7-18(21)22/h2-14,22H,1H3

>  <InChI Key>
FJEZSQVSLDYNAF-UHFFFAOYSA-N

