
 CHEMBL346016

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.9287   -0.3656   -0.1604 C   0  0  0  0  0
    1.7009    1.0363    0.3903 C   0  0  0  0  0
    2.5936    2.0641   -0.3049 C   0  0  0  0  0
    4.0034    1.6740   -0.2075 N   0  0  0  0  0
    4.8884    2.7206   -0.7582 C   0  0  0  0  0
    6.3737    2.4314   -0.4476 C   0  0  0  0  0
    6.7218    1.0043   -0.7377 C   0  0  0  0  0
    5.7295    0.0534   -0.9039 C   0  0  0  0  0
    4.2427    0.3590   -0.8744 C   0  0  0  0  0
    3.4146   -0.7193   -0.1547 C   0  0  0  0  0
    6.3782   -1.4820   -1.2695 S   0  0  0  0  0
    7.9826   -0.9038   -1.1383 C   0  0  0  0  0
    8.0272    0.4442   -0.8587 C   0  0  0  0  0
    1.5464   -0.4197   -1.1873 H   0  0  0  0  0
    1.3662   -1.0973    0.4297 H   0  0  0  0  0
    0.6484    1.3158    0.2660 H   0  0  0  0  0
    1.9067    1.0405    1.4684 H   0  0  0  0  0
    2.4390    3.0316    0.1879 H   0  0  0  0  0
    2.2889    2.1799   -1.3527 H   0  0  0  0  0
    4.6418    3.6961   -0.3212 H   0  0  0  0  0
    4.7434    2.8075   -1.8436 H   0  0  0  0  0
    6.5726    2.6315    0.6124 H   0  0  0  0  0
    7.0069    3.1034   -1.0381 H   0  0  0  0  0
    3.9104    0.4219   -1.9215 H   0  0  0  0  0
    3.5349   -1.6949   -0.6396 H   0  0  0  0  0
    3.7606   -0.8371    0.8810 H   0  0  0  0  0
    8.8155   -1.5778   -1.2820 H   0  0  0  0  0
    8.9511    0.9983   -0.7494 H   0  0  0  0  0
  1  2  1  0  0  0
  1 10  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  2 16  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 20  1  0  0  0
  5 21  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  7 13  1  0  0  0
  7  8  2  0  0  0
  8 11  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 27  1  0  0  0
 13 28  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL346016

>  <PubChem CID>
14004039

>  <Formula>
C11H15NS

>  <Molecular Weight>
193.308000

>  <IUPAC Name>
5,7,8,9,10,10a-hexahydro-4H-thieno[2,3-a]quinolizine

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCN2CCC3=C(C2C1)SC=C3

>  <Isomeric SMILES>
C1CCN2CCC3=C(C2C1)SC=C3

>  <InChI Std. ID>
InChI=1S/C11H15NS/c1-2-6-12-7-4-9-5-8-13-11(9)10(12)3-1/h5,8,10H,1-4,6-7H2

>  <InChI Key>
JDQPKNAZHYFPQE-UHFFFAOYSA-N

