
 CHEMBL2314300

 50 54  0  0  0  0  0  0  0  0999 V2000
   13.7142    8.8310   -0.6806 C   0  0  0  0  0
   13.1593    7.4310   -0.8744 C   0  0  0  0  0
   12.1709    7.2055    0.1292 O   0  0  0  0  0
   11.5036    6.0132    0.0796 C   0  0  0  0  0
   10.3377    5.9624    0.8459 C   0  0  0  0  0
    9.5821    4.7904    0.9116 C   0  0  0  0  0
    9.9991    3.6505    0.2246 C   0  0  0  0  0
   11.1406    3.7064   -0.5775 C   0  0  0  0  0
   11.9009    4.8817   -0.6349 C   0  0  0  0  0
    9.2102    2.5359    0.3835 O   0  0  0  0  0
    9.7602    1.2623    0.2905 C   0  0  0  0  0
   10.8184    0.8174    0.9802 C   0  0  0  0  0
   11.2487   -0.5648    0.7473 C   0  0  0  0  0
   10.6251   -1.4348    0.0298 N   0  0  0  0  0
    9.4474   -1.0280   -0.5698 N   0  0  0  0  0
    8.9644    0.2741   -0.5114 C   0  0  0  0  0
    7.9192    0.6336   -1.0541 O   0  0  0  0  0
    8.5957   -2.0788   -1.1463 C   0  0  0  0  0
    8.1891   -3.1099   -0.0914 C   0  0  0  0  0
    7.4946   -2.9036    1.0923 C   0  0  0  0  0
    7.2705   -4.0037    1.9216 C   0  0  0  0  0
    7.7317   -5.2809    1.5603 C   0  0  0  0  0
    8.4221   -5.4830    0.3603 C   0  0  0  0  0
    8.6479   -4.3926   -0.4637 C   0  0  0  0  0
    9.3260   -4.2981   -1.7404 C   0  0  0  0  0
    9.9188   -5.2778   -2.5196 C   0  0  0  0  0
   10.4873   -4.9038   -3.7416 C   0  0  0  0  0
   10.4576   -3.5664   -4.1722 C   0  0  0  0  0
    9.8663   -2.5758   -3.3859 C   0  0  0  0  0
    9.3118   -2.9521   -2.1715 C   0  0  0  0  0
   11.7314    1.7059    2.1326 Cl  0  0  0  0  0
   14.4350    9.0762   -1.4656 H   0  0  0  0  0
   14.2125    8.9134    0.2913 H   0  0  0  0  0
   12.9100    9.5739   -0.6906 H   0  0  0  0  0
   13.9803    6.7122   -0.7779 H   0  0  0  0  0
   12.7063    7.3549   -1.8698 H   0  0  0  0  0
   10.0147    6.8429    1.3961 H   0  0  0  0  0
    8.6756    4.7661    1.5101 H   0  0  0  0  0
   11.4679    2.8464   -1.1538 H   0  0  0  0  0
   12.8052    4.8753   -1.2339 H   0  0  0  0  0
   12.1874   -0.8729    1.2371 H   0  0  0  0  0
    7.6877   -1.6681   -1.6029 H   0  0  0  0  0
    7.1447   -1.9156    1.3730 H   0  0  0  0  0
    6.7376   -3.8718    2.8605 H   0  0  0  0  0
    7.5508   -6.1230    2.2243 H   0  0  0  0  0
    8.7746   -6.4734    0.0933 H   0  0  0  0  0
    9.9431   -6.3140   -2.1999 H   0  0  0  0  0
   10.9558   -5.6585   -4.3692 H   0  0  0  0  0
   10.9002   -3.3022   -5.1298 H   0  0  0  0  0
    9.8398   -1.5434   -3.7181 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  6  7  2  0  0  0
  6 38  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 39  1  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 31  1  0  0  0
 13 14  2  0  0  0
 13 41  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 18 19  1  0  0  0
 18 30  1  0  0  0
 18 42  1  0  0  0
 19 24  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 21 22  2  0  0  0
 21 44  1  0  0  0
 22 23  1  0  0  0
 22 45  1  0  0  0
 23 24  2  0  0  0
 23 46  1  0  0  0
 24 25  1  0  0  0
 25 30  1  0  0  0
 25 26  2  0  0  0
 26 27  1  0  0  0
 26 47  1  0  0  0
 27 28  2  0  0  0
 27 48  1  0  0  0
 28 29  1  0  0  0
 28 49  1  0  0  0
 29 30  2  0  0  0
 29 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2314300

>  <PubChem CID>
51000459

>  <Formula>
C25H19ClN2O3

>  <Molecular Weight>
430.888000

>  <IUPAC Name>
5-chloro-4-(4-ethoxyphenoxy)-2-(9H-fluoren-9-yl)pyridazin-3-one

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCOC1=CC=C(C=C1)OC2=C(C=NN(C2=O)C3C4=CC=CC=C4C5=CC=CC=C35)Cl

>  <Isomeric SMILES>
CCOC1=CC=C(C=C1)OC2=C(C=NN(C2=O)C3C4=CC=CC=C4C5=CC=CC=C35)Cl

>  <InChI Std. ID>
InChI=1S/C25H19ClN2O3/c1-2-30-16-11-13-17(14-12-16)31-24-22(26)15-27-28(25(24)29)23-20-9-5-3-7-18(20)19-8-4-6-10-21(19)23/h3-15,23H,2H2,1H3

>  <InChI Key>
AMNMNTMWGQZZPV-UHFFFAOYSA-N

