
 2,3-Naphthalenediol, 7-amino-1-fluoro-5,6,7,8-tetrahydro-

 26 27  0  0  0  0  0  0  0  0999 V2000
   -2.4765    0.6654   -0.3314 C   0  0  0  0  0
   -1.2508    1.4878    0.0645 C   0  0  0  0  0
    0.0402    0.7076    0.0084 C   0  0  0  0  0
    1.2596    1.4072    0.0279 C   0  0  0  0  0
    2.4619    0.7118    0.0083 C   0  0  0  0  0
    2.4745   -0.6743   -0.0268 C   0  0  0  0  0
    1.2745   -1.3745   -0.0355 C   0  0  0  0  0
    0.0466   -0.7029   -0.0027 C   0  0  0  0  0
   -1.2334   -1.5005   -0.0436 C   0  0  0  0  0
   -2.4645   -0.6857    0.3877 C   0  0  0  0  0
   -3.6955   -1.4316    0.1074 N   0  0  0  0  0
    1.3105   -2.7155   -0.0770 F   0  0  0  0  0
    3.6824   -1.3201   -0.0519 O   0  0  0  0  0
    3.6356    1.4085    0.0239 O   0  0  0  0  0
   -3.3822    1.2325   -0.0843 H   0  0  0  0  0
   -2.4823    0.5124   -1.4188 H   0  0  0  0  0
   -1.3786    1.8573    1.0897 H   0  0  0  0  0
   -1.1855    2.3608   -0.5960 H   0  0  0  0  0
    1.2757    2.4932    0.0588 H   0  0  0  0  0
   -1.3627   -1.8645   -1.0718 H   0  0  0  0  0
   -1.1422   -2.3790    0.6078 H   0  0  0  0  0
   -2.4165   -0.5134    1.4708 H   0  0  0  0  0
   -3.7951   -1.5737   -0.8976 H   0  0  0  0  0
   -4.5035   -0.8787    0.3932 H   0  0  0  0  0
    3.4788   -2.2764   -0.0741 H   0  0  0  0  0
    4.3343    0.7238    0.0067 H   0  0  0  0  0
  1 10  1  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  2 18  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 19  1  0  0  0
  5  6  2  0  0  0
  5 14  1  0  0  0
  6  7  1  0  0  0
  6 13  1  0  0  0
  7  8  2  0  0  0
  7 12  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
 13 25  1  0  0  0
 14 26  1  0  0  0
M  END

>  <Chemical Name>
2,3-Naphthalenediol, 7-amino-1-fluoro-5,6,7,8-tetrahydro-

>  <PubChem CID>
13662814

>  <Formula>
C10H12FNO2

>  <Molecular Weight>
197.209000

>  <IUPAC Name>
7-amino-1-fluoro-5,6,7,8-tetrahydronaphthalene-2,3-diol

>  <XlogP>
1.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C10H12FNO2/c11-9-7-4-6(12)2-1-5(7)3-8(13)10(9)14/h3,6,13-14H,1-2,4,12H2

>  <InChI Key>
DTGQQBGSYWRGOX-UHFFFAOYSA-N

