
 Tacrine

 29 31  0  0  0  0  0  0  0  0999 V2000
   -3.7200   -0.6488    0.2984 C   0  0  0  0  0
   -3.6291    0.6979   -0.4002 C   0  0  0  0  0
   -2.3860    1.4391    0.0755 C   0  0  0  0  0
   -1.1368    0.5958    0.0478 C   0  0  0  0  0
    0.0198    1.2954    0.0937 N   0  0  0  0  0
    1.1814    0.6322    0.0472 C   0  0  0  0  0
    2.3511    1.3812    0.0545 C   0  0  0  0  0
    3.6114    0.7862   -0.0182 C   0  0  0  0  0
    3.7097   -0.5926   -0.1102 C   0  0  0  0  0
    2.5474   -1.3650   -0.1159 C   0  0  0  0  0
    1.2605   -0.7728   -0.0210 C   0  0  0  0  0
    0.0374   -1.5028    0.0176 C   0  0  0  0  0
   -1.1862   -0.8010    0.0207 C   0  0  0  0  0
   -2.5143   -1.5182   -0.0573 C   0  0  0  0  0
    0.0406   -2.9087   -0.1681 N   0  0  0  0  0
   -4.6441   -1.1643    0.0138 H   0  0  0  0  0
   -3.7601   -0.4964    1.3850 H   0  0  0  0  0
   -4.5214    1.2971   -0.1870 H   0  0  0  0  0
   -3.5894    0.5498   -1.4867 H   0  0  0  0  0
   -2.5363    1.7820    1.1066 H   0  0  0  0  0
   -2.2404    2.3305   -0.5461 H   0  0  0  0  0
    2.2769    2.4643    0.1118 H   0  0  0  0  0
    4.5051    1.4039   -0.0119 H   0  0  0  0  0
    4.6836   -1.0698   -0.1796 H   0  0  0  0  0
    2.6585   -2.4412   -0.2031 H   0  0  0  0  0
   -2.6358   -1.8997   -1.0788 H   0  0  0  0  0
   -2.5236   -2.3747    0.6260 H   0  0  0  0  0
    0.8656   -3.3612    0.2096 H   0  0  0  0  0
   -0.7986   -3.3753    0.1544 H   0  0  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  2 19  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  2  0  0  0
  4 13  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 22  1  0  0  0
  8  9  2  0  0  0
  8 23  1  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
 10 11  2  0  0  0
 10 25  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 15  1  0  0  0
 13 14  1  0  0  0
 14 26  1  0  0  0
 14 27  1  0  0  0
 15 28  1  0  0  0
 15 29  1  0  0  0
M  END

>  <Chemical Name>
Tacrine

>  <PubChem CID>
1935

>  <Formula>
C13H14N2

>  <Molecular Weight>
198.269000

>  <IUPAC Name>
1,2,3,4-tetrahydroacridin-9-amine

>  <XlogP>
2.700

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCC2=NC3=CC=CC=C3C(=C2C1)N

>  <Isomeric SMILES>
C1CCC2=NC3=CC=CC=C3C(=C2C1)N

>  <InChI Std. ID>
InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)

>  <InChI Key>
YLJREFDVOIBQDA-UHFFFAOYSA-N

