
 CHEMBL1441254

 36 38  0  0  0  0  0  0  0  0999 V2000
    1.9067    9.4219   -3.5980 C   0  0  0  0  0
    1.9771    9.1847   -2.1969 O   0  0  0  0  0
    2.8522    8.2176   -1.7862 C   0  0  0  0  0
    2.6556    7.7670   -0.4792 C   0  0  0  0  0
    3.4824    6.7816    0.0626 C   0  0  0  0  0
    4.5294    6.2558   -0.6932 C   0  0  0  0  0
    4.7270    6.6940   -2.0039 C   0  0  0  0  0
    3.8938    7.6809   -2.5458 C   0  0  0  0  0
    5.2890    5.2896   -0.0754 O   0  0  0  0  0
    6.6199    5.1472   -0.4482 C   0  0  0  0  0
    7.5677    6.0346   -0.1350 C   0  0  0  0  0
    8.9308    5.7254   -0.5577 C   0  0  0  0  0
    9.3118    4.6447   -1.1486 N   0  0  0  0  0
    8.3565    3.6790   -1.4205 N   0  0  0  0  0
    6.9932    3.8626   -1.1289 C   0  0  0  0  0
    6.0792    3.0786   -1.3803 O   0  0  0  0  0
    8.9106    2.4846   -2.0171 C   0  0  0  0  0
    8.1380    1.3663   -2.3655 C   0  0  0  0  0
    8.7186    0.2183   -2.9247 C   0  0  0  0  0
   10.0888    0.1595   -3.1486 C   0  0  0  0  0
   10.8806    1.2507   -2.8170 C   0  0  0  0  0
   10.2969    2.3955   -2.2604 C   0  0  0  0  0
    7.3217    7.4942    0.7267 Cl  0  0  0  0  0
    1.0912   10.1291   -3.7753 H   0  0  0  0  0
    1.6753    8.5011   -4.1433 H   0  0  0  0  0
    2.8292    9.8797   -3.9680 H   0  0  0  0  0
    1.8455    8.1789    0.1170 H   0  0  0  0  0
    3.3099    6.4309    1.0768 H   0  0  0  0  0
    5.5101    6.2757   -2.6278 H   0  0  0  0  0
    4.0846    8.0103   -3.5618 H   0  0  0  0  0
    9.6927    6.4939   -0.3411 H   0  0  0  0  0
    7.0646    1.3342   -2.2167 H   0  0  0  0  0
    8.0892   -0.6309   -3.1800 H   0  0  0  0  0
   10.5359   -0.7326   -3.5780 H   0  0  0  0  0
   11.9540    1.2180   -2.9853 H   0  0  0  0  0
   10.9589    3.2229   -2.0143 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  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 27  1  0  0  0
  5  6  2  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 29  1  0  0  0
  8 30  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 23  1  0  0  0
 12 13  2  0  0  0
 12 31  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 22  1  0  0  0
 18 19  1  0  0  0
 18 32  1  0  0  0
 19 20  2  0  0  0
 19 33  1  0  0  0
 20 21  1  0  0  0
 20 34  1  0  0  0
 21 22  2  0  0  0
 21 35  1  0  0  0
 22 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1441254

>  <PubChem CID>
2800329

>  <Formula>
C17H13ClN2O3

>  <Molecular Weight>
328.752000

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

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C17H13ClN2O3/c1-22-13-7-9-14(10-8-13)23-16-15(18)11-19-20(17(16)21)12-5-3-2-4-6-12/h2-11H,1H3

>  <InChI Key>
CDMJYZVKNAEVQP-UHFFFAOYSA-N

