
 CHEMBL2314316

 39 41  0  0  0  0  0  0  0  0999 V2000
    0.2016    4.9794   -2.8108 C   0  0  0  0  0
    0.5851    5.8488   -1.7512 O   0  0  0  0  0
    1.8624    5.7055   -1.2832 C   0  0  0  0  0
    2.1027    6.2869   -0.0368 C   0  0  0  0  0
    3.3665    6.2071    0.5525 C   0  0  0  0  0
    4.4081    5.5623   -0.1136 C   0  0  0  0  0
    4.1728    4.9788   -1.3618 C   0  0  0  0  0
    2.9037    5.0559   -1.9468 C   0  0  0  0  0
    5.6173    5.5360    0.5473 O   0  0  0  0  0
    6.7660    5.3907   -0.2159 C   0  0  0  0  0
    7.3960    6.4242   -0.7802 C   0  0  0  0  0
    8.5846    6.1329   -1.5882 C   0  0  0  0  0
    9.0862    4.9607   -1.7942 N   0  0  0  0  0
    8.4561    3.8990   -1.1769 N   0  0  0  0  0
    7.3368    4.0193   -0.3584 C   0  0  0  0  0
    6.8033    3.0681    0.2114 O   0  0  0  0  0
    8.9924    2.5705   -1.4611 C   0  0  0  0  0
    8.3241    1.9396   -2.6633 C   0  0  0  0  0
    8.8065    2.1883   -3.9571 C   0  0  0  0  0
    8.1800    1.6189   -5.0683 C   0  0  0  0  0
    7.0620    0.8064   -4.8922 C   0  0  0  0  0
    6.5620    0.5614   -3.6155 C   0  0  0  0  0
    7.1896    1.1288   -2.5043 C   0  0  0  0  0
    6.2888    0.1074   -6.2616 Cl  0  0  0  0  0
    6.8952    8.0590   -0.6602 Cl  0  0  0  0  0
   -0.8679    5.1245   -2.9903 H   0  0  0  0  0
    0.3555    3.9305   -2.5369 H   0  0  0  0  0
    0.7300    5.2281   -3.7368 H   0  0  0  0  0
    1.2958    6.7964    0.4848 H   0  0  0  0  0
    3.5347    6.6528    1.5288 H   0  0  0  0  0
    4.9504    4.4432   -1.8975 H   0  0  0  0  0
    2.7637    4.6021   -2.9218 H   0  0  0  0  0
    9.0724    7.0007   -2.0638 H   0  0  0  0  0
    8.8652    1.9257   -0.5835 H   0  0  0  0  0
   10.0736    2.6540   -1.6290 H   0  0  0  0  0
    9.6715    2.8327   -4.1031 H   0  0  0  0  0
    8.5665    1.8154   -6.0646 H   0  0  0  0  0
    5.6863   -0.0668   -3.4763 H   0  0  0  0  0
    6.7853    0.9390   -1.5106 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  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 29  1  0  0  0
  5  6  2  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 31  1  0  0  0
  8 32  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 25  1  0  0  0
 12 13  2  0  0  0
 12 33  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 18  1  0  0  0
 17 34  1  0  0  0
 17 35  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 36  1  0  0  0
 20 21  2  0  0  0
 20 37  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 38  1  0  0  0
 23 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2314316

>  <PubChem CID>
50904468

>  <Formula>
C18H14Cl2N2O3

>  <Molecular Weight>
377.221000

>  <IUPAC Name>
5-chloro-2-[(4-chlorophenyl)methyl]-4-(4-methoxyphenoxy)pyridazin-3-one

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=C(C=C1)OC2=C(C=NN(C2=O)CC3=CC=C(C=C3)Cl)Cl

>  <Isomeric SMILES>
COC1=CC=C(C=C1)OC2=C(C=NN(C2=O)CC3=CC=C(C=C3)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C18H14Cl2N2O3/c1-24-14-6-8-15(9-7-14)25-17-16(20)10-21-22(18(17)23)11-12-2-4-13(19)5-3-12/h2-10H,11H2,1H3

>  <InChI Key>
ADDYJPMIFZFGEZ-UHFFFAOYSA-N

