9839057
  -OEChem-05062415022D

 29 31  0     1  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
    4.3958    0.0950    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
    5.2619    1.5950    0.0000 C   0  0  3  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
    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
    5.2619   -1.4050    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
    6.1279    1.0950    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
    2.5836   -1.7097    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
    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
    4.7249    1.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8179    0.5581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648    0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4379    1.6319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4007    0.4891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3910   -2.2990    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
    7.4117   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  9  1  0  0  0  0
  2 17  1  0  0  0  0
  3 11  1  0  0  0  0
  3 16  1  0  0  0  0
  4  7  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 13  1  0  0  0  0
  7 20  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 16  2  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  0  0  0  0
 15 25  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9839057

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
289

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAAEAAAAAAAAAAAAAAAASJAAAAwAAAAAAAAAEgB/gAAHgBQAAABrCzhmAYyBsBABECIAqhSgAACCAAkIAQIiIEGCOgsJjKEtBuCOSCk0BEIq5f///3+wwADEIAYhACGAAYhADEIAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(4-bromofuro[2,3-f]benzofuran-8-yl)propan-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
1-(4-bromo-8-furo[2,3-f]benzofuranyl)-2-propanamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(4-bromofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine

> <PUBCHEM_IUPAC_NAME>
1-(4-bromofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(4-bromanylfuro[2,3-f][1]benzofuran-8-yl)propan-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[2-(4-bromofuro[2,3-f]benzofuran-8-yl)-1-methyl-ethyl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H12BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h2-5,7H,6,15H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
GIKPTWKWYXCBEC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
293.00514

> <PUBCHEM_MOLECULAR_FORMULA>
C13H12BrNO2

> <PUBCHEM_MOLECULAR_WEIGHT>
294.14

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(CC1=C2C=COC2=C(C3=C1OC=C3)Br)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(CC1=C2C=COC2=C(C3=C1OC=C3)Br)N

> <PUBCHEM_CACTVS_TPSA>
52.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
293.00514

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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  12  8
10  15  8
11  12  8
14  16  8
15  17  8
2  17  8
2  9  8
3  11  8
3  16  8
7  4  3
5  8  8
5  9  8
8  11  8
8  14  8
9  10  8

$$$$