
 CHEMBL2314301

 49 53  0  0  0  0  0  0  0  0999 V2000
    2.7357   -0.4735   -1.0832 C   0  0  0  0  0
    2.4398    0.3750    0.1449 C   0  0  0  0  0
    2.9118    1.7974   -0.0205 C   0  0  0  0  0
    2.0892    2.7581   -0.6239 C   0  0  0  0  0
    2.5499    4.0624   -0.8239 C   0  0  0  0  0
    3.8392    4.4162   -0.4303 C   0  0  0  0  0
    4.6440    3.4802    0.2265 C   0  0  0  0  0
    4.1924    2.1706    0.4044 C   0  0  0  0  0
    4.2346    5.7083   -0.7093 O   0  0  0  0  0
    5.5831    5.9509   -0.9663 C   0  0  0  0  0
    6.2064    7.0139   -0.4530 C   0  0  0  0  0
    7.6573    7.1102   -0.6466 C   0  0  0  0  0
    8.3992    6.2072   -1.1983 N   0  0  0  0  0
    7.7470    5.1148   -1.7453 N   0  0  0  0  0
    6.3647    5.0323   -1.8552 C   0  0  0  0  0
    5.7928    4.2299   -2.5901 O   0  0  0  0  0
    8.5505    4.0267   -2.3053 C   0  0  0  0  0
    9.3782    3.2968   -1.2480 C   0  0  0  0  0
    8.9416    2.6427   -0.1041 C   0  0  0  0  0
    9.8936    2.0025    0.6917 C   0  0  0  0  0
   11.2526    2.0178    0.3362 C   0  0  0  0  0
   11.6851    2.6734   -0.8216 C   0  0  0  0  0
   10.7425    3.3106   -1.6138 C   0  0  0  0  0
   10.8889    4.0334   -2.8601 C   0  0  0  0  0
   12.0134    4.3015   -3.6234 C   0  0  0  0  0
   11.8541    5.0129   -4.8171 C   0  0  0  0  0
   10.5850    5.4475   -5.2377 C   0  0  0  0  0
    9.4510    5.1802   -4.4713 C   0  0  0  0  0
    9.6184    4.4790   -3.2873 C   0  0  0  0  0
    5.4529    8.2027    0.5266 Cl  0  0  0  0  0
    2.4044   -1.5039   -0.9186 H   0  0  0  0  0
    3.8081   -0.4939   -1.3056 H   0  0  0  0  0
    2.2165   -0.0887   -1.9672 H   0  0  0  0  0
    2.9208   -0.0720    1.0237 H   0  0  0  0  0
    1.3629    0.3667    0.3515 H   0  0  0  0  0
    1.0885    2.4923   -0.9569 H   0  0  0  0  0
    1.9092    4.7932   -1.3098 H   0  0  0  0  0
    5.6352    3.7395    0.5840 H   0  0  0  0  0
    4.8508    1.4396    0.8688 H   0  0  0  0  0
    8.1450    8.0122   -0.2398 H   0  0  0  0  0
    7.9223    3.2780   -2.8037 H   0  0  0  0  0
    7.8914    2.6174    0.1628 H   0  0  0  0  0
    9.5816    1.4797    1.5932 H   0  0  0  0  0
   11.9774    1.5078    0.9669 H   0  0  0  0  0
   12.7359    2.6716   -1.0901 H   0  0  0  0  0
   12.9968    3.9669   -3.3126 H   0  0  0  0  0
   12.7235    5.2298   -5.4328 H   0  0  0  0  0
   10.4860    5.9944   -6.1721 H   0  0  0  0  0
    8.4675    5.5070   -4.7938 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  5  6  2  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 38  1  0  0  0
  8 39  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 30  1  0  0  0
 12 13  2  0  0  0
 12 40  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  1  0  0  0
 17 29  1  0  0  0
 17 41  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 42  1  0  0  0
 20 21  2  0  0  0
 20 43  1  0  0  0
 21 22  1  0  0  0
 21 44  1  0  0  0
 22 23  2  0  0  0
 22 45  1  0  0  0
 23 24  1  0  0  0
 24 29  1  0  0  0
 24 25  2  0  0  0
 25 26  1  0  0  0
 25 46  1  0  0  0
 26 27  2  0  0  0
 26 47  1  0  0  0
 27 28  1  0  0  0
 27 48  1  0  0  0
 28 29  2  0  0  0
 28 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2314301

>  <PubChem CID>
51000464

>  <Formula>
C25H19ClN2O2

>  <Molecular Weight>
414.889000

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

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC1=CC=C(C=C1)OC2=C(C=NN(C2=O)C3C4=CC=CC=C4C5=CC=CC=C35)Cl

>  <Isomeric SMILES>
CCC1=CC=C(C=C1)OC2=C(C=NN(C2=O)C3C4=CC=CC=C4C5=CC=CC=C35)Cl

>  <InChI Std. ID>
InChI=1S/C25H19ClN2O2/c1-2-16-11-13-17(14-12-16)30-24-22(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>
CHWLYDOFIFXAQD-UHFFFAOYSA-N

