10265873
  -OEChem-05142415592D

 30 32  0     0  0  0  0  0  0999 V2000
    4.3958   -2.9050    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5836   -0.1003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2081   -1.7097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    2.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2081   -0.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836   -1.7097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7455    0.2090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9571    0.4666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0462   -2.0190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8346   -2.2766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1838    1.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7853    0.9873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2526   -1.3197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2526   -0.4903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391   -0.4903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391   -1.3197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4739    1.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8725    1.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7988    2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7249    2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  7  1  0  0  0  0
  2 15  1  0  0  0  0
  3 10  1  0  0  0  0
  3 14  1  0  0  0  0
  4 16  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 13  2  0  0  0  0
 11 15  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 16  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10265873

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
263

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAAEAAAAAAAAAAAAAAAASJAAAAwAAAAAAAAAEgBAAAAHgBQAAABrAThmAYABoBABACAAgBAAAACCAAgIAQAiIAECKgMJiKEsBuCOCCk0BEIqhfw8PwOwwADEIAYhACGAAYhADEIAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f]benzofuran-8-yl)ethanamine

> <PUBCHEM_IUPAC_CAS_NAME>
2-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f]benzofuran-8-yl)ethanamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanamine

> <PUBCHEM_IUPAC_NAME>
2-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(4-bromanyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f]benzofuran-8-yl)ethylamine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H14BrNO2/c13-10-9-3-6-15-11(9)7(1-4-14)8-2-5-16-12(8)10/h1-6,14H2

> <PUBCHEM_IUPAC_INCHIKEY>
YZDFADGMVOSVIX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
283.02079

> <PUBCHEM_MOLECULAR_FORMULA>
C12H14BrNO2

> <PUBCHEM_MOLECULAR_WEIGHT>
284.15

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1COC2=C(C3=C(C(=C21)CCN)OCC3)Br

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1COC2=C(C3=C(C(=C21)CCN)OCC3)Br

> <PUBCHEM_CACTVS_TPSA>
44.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
283.02079

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
5  10  8
5  6  8
6  7  8
7  8  8
8  13  8

$$$$