
 SR-02000000447

 39 41  0  0  0  0  0  0  0  0999 V2000
    1.2305   -0.3676   -1.8181 C   0  0  0  0  0
    2.6712   -0.2990   -1.4021 C   0  0  0  0  0
    3.3066    0.9422   -1.2163 C   0  0  0  0  0
    4.6592    1.0378   -0.8485 C   0  0  0  0  0
    5.3570   -0.1705   -0.6630 C   0  0  0  0  0
    4.7369   -1.4111   -0.8418 C   0  0  0  0  0
    3.3993   -1.4752   -1.2139 C   0  0  0  0  0
    5.3156    2.2985   -0.6042 N   0  0  0  0  0
    4.7128    3.5512   -0.8106 C   0  0  0  0  0
    3.6921    3.7680   -1.4637 O   0  0  0  0  0
    5.3897    4.7113   -0.1389 C   0  0  0  0  0
    6.6598    4.5860    0.2449 C   0  0  0  0  0
    7.2575    3.2561    0.1453 C   0  0  0  0  0
    6.6356    2.1781   -0.1978 N   0  0  0  0  0
    7.5900    5.8322    0.9636 Cl  0  0  0  0  0
    4.6976    5.9083    0.0423 O   0  0  0  0  0
    3.4470    5.8404    0.6194 C   0  0  0  0  0
    2.5052    6.7717    0.1849 C   0  0  0  0  0
    1.2068    6.7367    0.6994 C   0  0  0  0  0
    0.8423    5.7707    1.6383 C   0  0  0  0  0
    1.8020    4.8770    2.1156 C   0  0  0  0  0
    3.1069    4.9198    1.6152 C   0  0  0  0  0
   -0.4627    5.8081    2.0476 O   0  0  0  0  0
   -1.0039    4.5570    2.4598 C   0  0  0  0  0
    0.7626    0.6225   -1.8169 H   0  0  0  0  0
    0.6655   -1.0011   -1.1264 H   0  0  0  0  0
    1.1516   -0.7786   -2.8297 H   0  0  0  0  0
    2.6977    1.8294   -1.3588 H   0  0  0  0  0
    6.4032   -0.1679   -0.3665 H   0  0  0  0  0
    5.3035   -2.3255   -0.6877 H   0  0  0  0  0
    2.9254   -2.4443   -1.3535 H   0  0  0  0  0
    8.3167    3.1752    0.4412 H   0  0  0  0  0
    2.7694    7.5063   -0.5696 H   0  0  0  0  0
    0.4675    7.4512    0.3453 H   0  0  0  0  0
    1.5653    4.1451    2.8800 H   0  0  0  0  0
    3.8361    4.2189    2.0109 H   0  0  0  0  0
   -2.0894    4.6733    2.5420 H   0  0  0  0  0
   -0.6257    4.2716    3.4466 H   0  0  0  0  0
   -0.8080    3.7715    1.7214 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  6  7  2  0  0  0
  6 30  1  0  0  0
  7 31  1  0  0  0
  8 14  1  0  0  0
  8  9  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 32  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 33  1  0  0  0
 19 20  2  0  0  0
 19 34  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 35  1  0  0  0
 22 36  1  0  0  0
 23 24  1  0  0  0
 24 37  1  0  0  0
 24 38  1  0  0  0
 24 39  1  0  0  0
M  END

>  <Chemical Name>
SR-02000000447

>  <PubChem CID>
46835805

>  <Formula>
C18H15ClN2O3

>  <Molecular Weight>
342.779000

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

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC(=CC=C1)N2C(=O)C(=C(C=N2)Cl)OC3=CC=C(C=C3)OC

>  <Isomeric SMILES>
CC1=CC(=CC=C1)N2C(=O)C(=C(C=N2)Cl)OC3=CC=C(C=C3)OC

>  <InChI Std. ID>
InChI=1S/C18H15ClN2O3/c1-12-4-3-5-13(10-12)21-18(22)17(16(19)11-20-21)24-15-8-6-14(23-2)7-9-15/h3-11H,1-2H3

>  <InChI Key>
DMMBVVPSIDEESL-UHFFFAOYSA-N

