9238
  -OEChem-04192415312D

 26 28  0     0  0  0  0  0  0999 V2000
    2.8368   -0.2682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9819   -0.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5092   -0.2682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730    1.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730   -0.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8368    0.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8876   -1.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9819    0.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5092    0.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3444    0.0878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8478   -1.3086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1016   -0.4509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730    1.8001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5188   -0.3601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8068   -1.3401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3030   -1.0685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0430   -1.0685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6247    1.2799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2262    0.5897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5782   -1.7174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4127   -1.5097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6383    0.8580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3885    0.1625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1198    0.5897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7212    1.2799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9238

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
75.1

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGAAAAAAAAAAAAAGAAAAAAADQCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgMAOAAAAAAAAAAAAAAQAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
adamantane

> <PUBCHEM_IUPAC_CAS_NAME>
adamantane

> <PUBCHEM_IUPAC_NAME_MARKUP>
adamantane

> <PUBCHEM_IUPAC_NAME>
adamantane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
adamantane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
adamantane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2

> <PUBCHEM_IUPAC_INCHIKEY>
ORILYTVJVMAKLC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
136.125200510

> <PUBCHEM_MOLECULAR_FORMULA>
C10H16

> <PUBCHEM_MOLECULAR_WEIGHT>
136.23

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2CC3CC1CC(C2)C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C2CC3CC1CC(C2)C3

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
136.125200510

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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

$$$$