
 CHEMBL1990764

 46 50  0  0  0  0  0  0  0  0999 V2000
    2.1054    1.9037    3.4867 C   0  0  0  0  0
    3.4442    2.0228    3.1226 C   0  0  0  0  0
    3.8868    1.5252    1.8943 C   0  0  0  0  0
    2.9921    0.8999    1.0101 C   0  0  0  0  0
    1.6439    0.7851    1.3978 C   0  0  0  0  0
    1.2047    1.2861    2.6241 C   0  0  0  0  0
    3.4373    0.2993   -0.3230 C   0  0  0  0  0
    4.4213    1.1267   -1.0607 C   0  0  0  0  0
    5.1901    1.7642   -1.6533 N   0  0  0  0  0
    3.8805   -1.1471   -0.1630 C   0  0  0  0  0
    5.0898   -1.6148    0.1786 C   0  0  0  0  0
    5.2711   -3.0690    0.2907 C   0  0  0  0  0
    4.3438   -3.9513    0.1444 N   0  0  0  0  0
    3.0809   -3.4853   -0.1580 N   0  0  0  0  0
    2.7945   -2.1515   -0.4087 C   0  0  0  0  0
    1.6929   -1.7654   -0.7969 O   0  0  0  0  0
    2.0197   -4.4857   -0.3416 C   0  0  0  0  0
    2.0077   -5.5621    0.7408 C   0  0  0  0  0
    1.8494   -5.4047    2.1103 C   0  0  0  0  0
    1.8703   -6.5492    2.9087 C   0  0  0  0  0
    2.0436   -7.8206    2.3359 C   0  0  0  0  0
    2.1959   -7.9719    0.9533 C   0  0  0  0  0
    2.1748   -6.8378    0.1584 C   0  0  0  0  0
    2.2957   -6.6880   -1.2778 C   0  0  0  0  0
    2.4615   -7.6376   -2.2722 C   0  0  0  0  0
    2.5279   -7.2066   -3.6014 C   0  0  0  0  0
    2.4253   -5.8428   -3.9242 C   0  0  0  0  0
    2.2607   -4.8832   -2.9240 C   0  0  0  0  0
    2.2060   -5.3167   -1.6073 C   0  0  0  0  0
    6.4753   -0.6739    0.5542 Cl  0  0  0  0  0
    1.7638    2.2941    4.4420 H   0  0  0  0  0
    4.1472    2.5073    3.7963 H   0  0  0  0  0
    4.9394    1.6441    1.6449 H   0  0  0  0  0
    0.9182    0.3014    0.7441 H   0  0  0  0  0
    0.1585    1.1931    2.9053 H   0  0  0  0  0
    2.5616    0.3409   -0.9863 H   0  0  0  0  0
    6.2894   -3.4183    0.5303 H   0  0  0  0  0
    1.0288   -4.0170   -0.3717 H   0  0  0  0  0
    1.7221   -4.4216    2.5510 H   0  0  0  0  0
    1.7551   -6.4576    3.9862 H   0  0  0  0  0
    2.0604   -8.6987    2.9774 H   0  0  0  0  0
    2.3284   -8.9588    0.5233 H   0  0  0  0  0
    2.5368   -8.6935   -2.0359 H   0  0  0  0  0
    2.6572   -7.9368   -4.3970 H   0  0  0  0  0
    2.4734   -5.5335   -4.9658 H   0  0  0  0  0
    2.1749   -3.8305   -3.1730 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  3  4  2  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 34  1  0  0  0
  6 35  1  0  0  0
  7 10  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  8  9  3  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 37  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 38  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 20 40  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
 22 23  2  0  0  0
 22 42  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 43  1  0  0  0
 26 27  2  0  0  0
 26 44  1  0  0  0
 27 28  1  0  0  0
 27 45  1  0  0  0
 28 29  2  0  0  0
 28 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1990764

>  <PubChem CID>
53364423

>  <Formula>
C25H16ClN3O

>  <Molecular Weight>
409.873000

>  <IUPAC Name>
2-[5-chloro-2-(9H-fluoren-9-yl)-3-oxopyridazin-4-yl]-2-phenylacetonitrile

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C25H16ClN3O/c26-22-15-28-29(25(30)23(22)21(14-27)16-8-2-1-3-9-16)24-19-12-6-4-10-17(19)18-11-5-7-13-20(18)24/h1-13,15,21,24H

>  <InChI Key>
BWFJRRVNUQTGTA-UHFFFAOYSA-N

