
 SR-02000000483

 40 42  0  0  0  0  0  0  0  0999 V2000
    1.8321    9.7333   -2.9899 C   0  0  0  0  0
    1.8943    9.3047   -1.6356 O   0  0  0  0  0
    2.7790    8.3023   -1.3488 C   0  0  0  0  0
    2.6266    7.7324   -0.0838 C   0  0  0  0  0
    3.4627    6.6977    0.3345 C   0  0  0  0  0
    4.4767    6.2379   -0.5054 C   0  0  0  0  0
    4.6300    6.7935   -1.7769 C   0  0  0  0  0
    3.7869    7.8317   -2.1935 C   0  0  0  0  0
    5.2478    5.2110   -0.0124 O   0  0  0  0  0
    6.5791    5.1224   -0.4037 C   0  0  0  0  0
    7.5134    6.0090   -0.0501 C   0  0  0  0  0
    8.8796    5.7466   -0.4924 C   0  0  0  0  0
    9.2786    4.7001   -1.1300 N   0  0  0  0  0
    8.3415    3.7284   -1.4398 N   0  0  0  0  0
    6.9739    3.8790   -1.1471 C   0  0  0  0  0
    6.0725    3.0933   -1.4406 O   0  0  0  0  0
    8.9220    2.5603   -2.0646 C   0  0  0  0  0
    8.1781    1.4301   -2.4346 C   0  0  0  0  0
    8.7854    0.2917   -2.9896 C   0  0  0  0  0
   10.1580    0.2771   -3.2179 C   0  0  0  0  0
   10.9207    1.3885   -2.8759 C   0  0  0  0  0
   10.3101    2.5098   -2.3050 C   0  0  0  0  0
    7.9273   -0.7322   -3.2918 O   0  0  0  0  0
    8.5046   -2.0305   -3.3658 C   0  0  0  0  0
    7.2542    7.4154    0.8957 Cl  0  0  0  0  0
    1.0118   10.4526   -3.0749 H   0  0  0  0  0
    1.6120    8.8964   -3.6612 H   0  0  0  0  0
    2.7547   10.2443   -3.2836 H   0  0  0  0  0
    1.8410    8.0917    0.5785 H   0  0  0  0  0
    3.3248    6.2545    1.3172 H   0  0  0  0  0
    5.3853    6.4262   -2.4649 H   0  0  0  0  0
    3.9419    8.2498   -3.1824 H   0  0  0  0  0
    9.6275    6.5185   -0.2453 H   0  0  0  0  0
    7.1043    1.3766   -2.2925 H   0  0  0  0  0
   10.6555   -0.5733   -3.6705 H   0  0  0  0  0
   11.9934    1.3887   -3.0509 H   0  0  0  0  0
   10.9506    3.3501   -2.0476 H   0  0  0  0  0
    7.6883   -2.7538   -3.4550 H   0  0  0  0  0
    9.0639   -2.2682   -2.4543 H   0  0  0  0  0
    9.1357   -2.1335   -4.2540 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
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 15 16  2  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
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 24 40  1  0  0  0
M  END

>  <Chemical Name>
SR-02000000483

>  <PubChem CID>
46850891

>  <Formula>
C18H15ClN2O4

>  <Molecular Weight>
358.778000

>  <IUPAC Name>
5-chloro-4-(4-methoxyphenoxy)-2-(3-methoxyphenyl)pyridazin-3-one

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C18H15ClN2O4/c1-23-13-6-8-14(9-7-13)25-17-16(19)11-20-21(18(17)22)12-4-3-5-15(10-12)24-2/h3-11H,1-2H3

>  <InChI Key>
AKNGGPYBXULRJE-UHFFFAOYSA-N

