
 CHEMBL2047259

 34 36  0  0  0  0  0  0  0  0999 V2000
    0.8436   -0.0567    0.9270 C   0  0  0  0  0
    2.1843    0.0605    0.3567 N   0  0  0  0  0
    2.7105   -1.2544   -0.0729 C   0  0  0  0  0
    2.1050   -1.8018   -1.3870 C   0  0  0  0  0
    2.2092   -0.7991   -2.4535 N   0  0  0  0  0
    1.6039    0.4815   -2.0854 C   0  0  0  0  0
    2.2168    1.0193   -0.7750 C   0  0  0  0  0
    3.2752   -0.7762   -3.3652 C   0  0  0  0  0
    3.7069    0.2923   -3.8016 O   0  0  0  0  0
    3.8581   -2.0375   -3.7893 C   0  0  0  0  0
    5.1234   -2.3127   -4.2791 C   0  0  0  0  0
    5.1630   -3.6976   -4.5813 C   0  0  0  0  0
    3.8943   -4.1809   -4.2885 C   0  0  0  0  0
    3.1010   -3.1799   -3.8224 O   0  0  0  0  0
    3.5038   -5.5079   -4.4552 C   0  0  0  0  0
    4.4766   -6.3858   -4.9468 C   0  0  0  0  0
    5.7637   -5.9337   -5.2496 C   0  0  0  0  0
    6.1286   -4.5918   -5.0765 C   0  0  0  0  0
    6.9304   -7.0502   -5.8505 Cl  0  0  0  0  0
    0.4981    0.9177    1.2909 H   0  0  0  0  0
    0.8578   -0.7239    1.7958 H   0  0  0  0  0
    0.1027   -0.4381    0.2182 H   0  0  0  0  0
    2.5868   -1.9932    0.7276 H   0  0  0  0  0
    3.7938   -1.1443   -0.2121 H   0  0  0  0  0
    2.6194   -2.7308   -1.6324 H   0  0  0  0  0
    1.0423   -2.0372   -1.2574 H   0  0  0  0  0
    1.7288    1.2170   -2.8868 H   0  0  0  0  0
    0.5272    0.3151   -1.9684 H   0  0  0  0  0
    3.2684    1.2764   -0.9582 H   0  0  0  0  0
    1.7245    1.9574   -0.4908 H   0  0  0  0  0
    5.9180   -1.5875   -4.3929 H   0  0  0  0  0
    2.4994   -5.8360   -4.2166 H   0  0  0  0  0
    4.2190   -7.4326   -5.0938 H   0  0  0  0  0
    7.1303   -4.2499   -5.3174 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 14  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 12 13  2  0  0  0
 12 18  1  0  0  0
 13 15  1  0  0  0
 13 14  1  0  0  0
 15 16  2  0  0  0
 15 32  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 17 18  2  0  0  0
 17 19  1  0  0  0
 18 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2047259

>  <PubChem CID>
52128564

>  <Formula>
C14H15ClN2O2

>  <Molecular Weight>
278.736000

>  <IUPAC Name>
(5-chloro-1-benzofuran-2-yl)-(4-methylpiperazin-1-yl)methanone

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1CCN(CC1)C(=O)C2=CC3=C(O2)C=CC(=C3)Cl

>  <Isomeric SMILES>
CN1CCN(CC1)C(=O)C2=CC3=C(O2)C=CC(=C3)Cl

>  <InChI Std. ID>
InChI=1S/C14H15ClN2O2/c1-16-4-6-17(7-5-16)14(18)13-9-10-8-11(15)2-3-12(10)19-13/h2-3,8-9H,4-7H2,1H3

>  <InChI Key>
AWIOTFKIRZMFRN-UHFFFAOYSA-N

