21689037
  -OEChem-04252406442D

 28 29  0     1  0  0  0  0  0999 V2000
    6.3465   -1.3765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1581    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    1.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -0.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    1.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.7407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    1.0504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.8169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.8169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    2.1330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    2.1330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    2.3127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998   -0.1748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.6950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.4681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.3789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    1.4909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8798   -1.6927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 13  2  0  0  0  0
 10 22  1  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
21689037

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
172

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByIAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBAAAAHgAQCAAADCzBmAQyBoLAAgCAAiBCAAACAAAgIAAIiIAOCIgIJiKCkROEcAAk0BEImAewwLAOgAABAAAYAAAQAAKAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(methylamino)tetralin-5-ol

> <PUBCHEM_IUPAC_CAS_NAME>
7-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

> <PUBCHEM_IUPAC_NAME>
7-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(methylamino)tetralin-5-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H15NO/c1-12-9-6-5-8-3-2-4-11(13)10(8)7-9/h2-4,9,12-13H,5-7H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
RKQNQEQRWHOAOX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
177.115364102

> <PUBCHEM_MOLECULAR_FORMULA>
C11H15NO

> <PUBCHEM_MOLECULAR_WEIGHT>
177.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
CNC1CCC2=C(C1)C(=CC=C2)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CNC1CCC2=C(C1)C(=CC=C2)O

> <PUBCHEM_CACTVS_TPSA>
32.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
177.115364102

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
11  13  8
3  2  3
7  8  8
7  9  8
8  10  8
9  11  8

$$$$