
 ADTN

 26 27  0  0  0  0  0  0  0  0999 V2000
   -2.4771    0.6654   -0.3321 C   0  0  0  0  0
   -1.2496    1.4872    0.0610 C   0  0  0  0  0
    0.0405    0.7073    0.0055 C   0  0  0  0  0
    1.2560    1.4089    0.0261 C   0  0  0  0  0
    2.4547    0.7121    0.0087 C   0  0  0  0  0
    2.4696   -0.6775   -0.0251 C   0  0  0  0  0
    1.2776   -1.3918   -0.0347 C   0  0  0  0  0
    0.0516   -0.7034   -0.0042 C   0  0  0  0  0
   -1.2342   -1.4980   -0.0460 C   0  0  0  0  0
   -2.4644   -0.6840    0.3887 C   0  0  0  0  0
   -3.6955   -1.4314    0.1107 N   0  0  0  0  0
    3.6869   -1.3010   -0.0471 O   0  0  0  0  0
    3.6306    1.4066    0.0256 O   0  0  0  0  0
   -3.3824    1.2336   -0.0849 H   0  0  0  0  0
   -2.4843    0.5113   -1.4198 H   0  0  0  0  0
   -1.3775    1.8589    1.0855 H   0  0  0  0  0
   -1.1856    2.3592   -0.6011 H   0  0  0  0  0
    1.2723    2.4949    0.0565 H   0  0  0  0  0
    1.2818   -2.4775   -0.0638 H   0  0  0  0  0
   -1.3645   -1.8586   -1.0754 H   0  0  0  0  0
   -1.1424   -2.3791    0.6021 H   0  0  0  0  0
   -2.4137   -0.5112    1.4714 H   0  0  0  0  0
   -3.8027   -1.5582   -0.8956 H   0  0  0  0  0
   -4.5009   -0.8812    0.4085 H   0  0  0  0  0
    3.5315   -2.2608   -0.0703 H   0  0  0  0  0
    4.3206    0.7139    0.0106 H   0  0  0  0  0
  1 10  1  0  0  0
  1  2  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  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 18  1  0  0  0
  5  6  2  0  0  0
  5 13  1  0  0  0
  6  7  1  0  0  0
  6 12  1  0  0  0
  7  8  2  0  0  0
  7 19  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 20  1  0  0  0
  9 21  1  0  0  0
 10 11  1  0  0  0
 10 22  1  0  0  0
 11 23  1  0  0  0
 11 24  1  0  0  0
 12 25  1  0  0  0
 13 26  1  0  0  0
M  END

>  <Chemical Name>
ADTN

>  <PubChem CID>
3153

>  <Formula>
C10H13NO2

>  <Molecular Weight>
179.219000

>  <IUPAC Name>
6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol

>  <XlogP>
1.400

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC2=CC(=C(C=C2CC1N)O)O

>  <Isomeric SMILES>
C1CC2=CC(=C(C=C2CC1N)O)O

>  <InChI Std. ID>
InChI=1S/C10H13NO2/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8/h4-5,8,12-13H,1-3,11H2

>  <InChI Key>
ASXGAOFCKGHGMF-UHFFFAOYSA-N

