
 SR-02000000453

 42 45  0  0  0  0  0  0  0  0999 V2000
    1.7509    9.6746   -3.4241 C   0  0  0  0  0
    1.7468    9.2686   -2.0611 O   0  0  0  0  0
    2.6189    8.2731   -1.7190 C   0  0  0  0  0
    2.3657    7.6718   -0.4843 C   0  0  0  0  0
    3.1820    6.6409   -0.0176 C   0  0  0  0  0
    4.2759    6.2226   -0.7748 C   0  0  0  0  0
    4.5312    6.8105   -2.0145 C   0  0  0  0  0
    3.7072    7.8419   -2.4807 C   0  0  0  0  0
    5.0225    5.1957   -0.2455 O   0  0  0  0  0
    6.3946    5.1765   -0.4716 C   0  0  0  0  0
    7.2399    6.0811    0.0277 C   0  0  0  0  0
    8.6581    5.8549   -0.2178 C   0  0  0  0  0
    9.1678    4.8108   -0.7804 N   0  0  0  0  0
    8.3342    3.8303   -1.2529 N   0  0  0  0  0
    6.9296    3.9886   -1.2231 C   0  0  0  0  0
    6.0939    3.2634   -1.7642 O   0  0  0  0  0
    9.0178    2.6366   -1.7677 C   0  0  0  0  0
    8.2470    1.4835   -2.0373 C   0  0  0  0  0
    8.8064    0.2889   -2.4838 C   0  0  0  0  0
   10.1735    0.1912   -2.6533 C   0  0  0  0  0
   11.0031    1.2819   -2.3944 C   0  0  0  0  0
   12.3853    1.0914   -2.5735 C   0  0  0  0  0
   13.2944    2.1170   -2.3530 C   0  0  0  0  0
   12.8221    3.3564   -1.9716 C   0  0  0  0  0
   11.4461    3.5582   -1.7978 C   0  0  0  0  0
   10.4624    2.5352   -1.9667 C   0  0  0  0  0
    6.8157    7.4476    0.9695 Cl  0  0  0  0  0
    0.9324   10.3869   -3.5629 H   0  0  0  0  0
    1.5706    8.8240   -4.0907 H   0  0  0  0  0
    2.6839   10.1870   -3.6806 H   0  0  0  0  0
    1.5188    8.0010    0.1126 H   0  0  0  0  0
    2.9662    6.1713    0.9384 H   0  0  0  0  0
    5.3521    6.4715   -2.6379 H   0  0  0  0  0
    3.9414    8.2870   -3.4412 H   0  0  0  0  0
    9.3444    6.6403    0.1315 H   0  0  0  0  0
    7.1756    1.4499   -1.8838 H   0  0  0  0  0
    8.1673   -0.5678   -2.6816 H   0  0  0  0  0
   10.5871   -0.7577   -2.9898 H   0  0  0  0  0
   12.7722    0.1234   -2.8890 H   0  0  0  0  0
   14.3581    1.9484   -2.4892 H   0  0  0  0  0
   13.5136    4.1794   -1.8077 H   0  0  0  0  0
   11.1683    4.5694   -1.5297 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  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  5  6  2  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 33  1  0  0  0
  8 34  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 27  1  0  0  0
 12 13  2  0  0  0
 12 35  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  2  0  0  0
 17 26  1  0  0  0
 18 19  1  0  0  0
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 19 20  2  0  0  0
 19 37  1  0  0  0
 20 21  1  0  0  0
 20 38  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 39  1  0  0  0
 23 24  2  0  0  0
 23 40  1  0  0  0
 24 25  1  0  0  0
 24 41  1  0  0  0
 25 26  2  0  0  0
 25 42  1  0  0  0
M  END

>  <Chemical Name>
SR-02000000453

>  <PubChem CID>
46835792

>  <Formula>
C21H15ClN2O3

>  <Molecular Weight>
378.812000

>  <IUPAC Name>
5-chloro-4-(4-methoxyphenoxy)-2-naphthalen-1-ylpyridazin-3-one

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=C(C=C1)OC2=C(C=NN(C2=O)C3=CC=CC4=CC=CC=C43)Cl

>  <Isomeric SMILES>
COC1=CC=C(C=C1)OC2=C(C=NN(C2=O)C3=CC=CC4=CC=CC=C43)Cl

>  <InChI Std. ID>
InChI=1S/C21H15ClN2O3/c1-26-15-9-11-16(12-10-15)27-20-18(22)13-23-24(21(20)25)19-8-4-6-14-5-2-3-7-17(14)19/h2-13H,1H3

>  <InChI Key>
DMCSOBVBUJXKJS-UHFFFAOYSA-N

