2107
  -OEChem-05052412062D

 28 29  0     1  0  0  0  0  0999 V2000
    2.5369    0.0103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -1.7944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6811    1.9223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3919    0.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -0.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3704    0.9718    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0382    0.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3713    1.3852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7781    0.8529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9771    1.0996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848   -0.9897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738   -2.3838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5768   -0.1866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4523   -0.2340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    0.6415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.6303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.6097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2877    2.0502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2670    2.3838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 28  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 19  1  0  0  0  0
  3  6  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  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  9  2  0  0  0  0
  6 11  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 18  1  0  0  0  0
 10 13  2  0  0  0  0
 10 23  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  2  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 14 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2107

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
198

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgAQCAAADCzBngQ+xvLJkgCgAzRnRACCgCAxIiAI2aA+bJgIJuLCkZOEcAhk0BHI2Aew0PIOgEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(2-aminopropyl)-1H-indol-5-ol

> <PUBCHEM_IUPAC_CAS_NAME>
3-(2-aminopropyl)-1H-indol-5-ol

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(2-aminopropyl)-1<I>H</I>-indol-5-ol

> <PUBCHEM_IUPAC_NAME>
3-(2-aminopropyl)-1H-indol-5-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(2-azanylpropyl)-1H-indol-5-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(2-aminopropyl)-1H-indol-5-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H14N2O/c1-7(12)4-8-6-13-11-3-2-9(14)5-10(8)11/h2-3,5-7,13-14H,4,12H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
LYPCGXKCQDYTFV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
0.6

> <PUBCHEM_EXACT_MASS>
190.110613074

> <PUBCHEM_MOLECULAR_FORMULA>
C11H14N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
190.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(CC1=CNC2=C1C=C(C=C2)O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(CC1=CNC2=C1C=C(C=C2)O)N

> <PUBCHEM_CACTVS_TPSA>
62

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
190.110613074

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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
12  14  8
13  14  8
2  8  8
2  9  8
6  3  3
5  7  8
5  9  8
7  10  8
7  8  8
8  12  8

$$$$