5202
  -OEChem-07191013242D

 25 26  0     0  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
    6.0812   -0.1850    0.0000 C   0  0  0  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
    6.3919    0.7656    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
    7.3704    0.9718    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
    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
    7.2848   -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
    7.3910    0.3521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9842    0.8844    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
    2.8660   -1.7997    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
    2.0000   -0.2997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 25  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 17  1  0  0  0  0
  3  9  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 11  1  0  0  0  0
  8 16  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  2  0  0  0  0
 10 20  1  0  0  0  0
 11 13  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 13 22  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5202

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
174

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgAQCAAADAzBngQ8xvLJkgCgAzRnRACCgCAxIiAI2aA+bJgIJuLCkZOEcAhk0BHI2Aew0PIOgEABAAACAAAAgAIAAAQAAAAAAAAAAA==

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

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

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

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

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

> <PUBCHEM_NIST_INCHI>
InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2

> <PUBCHEM_NIST_INCHIKEY>
QZAYGJVTTNCVMB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
0.2

> <PUBCHEM_EXACT_MASS>
176.094963

> <PUBCHEM_MOLECULAR_FORMULA>
C10H12N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
176.21508

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=C(C=C1O)C(=CN2)CCN

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=C(C=C1O)C(=CN2)CCN

> <PUBCHEM_CACTVS_TPSA>
62

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
176.094963

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <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>
9

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
11  13  8
12  13  8
2  7  8
2  8  8
4  5  8
4  8  8
5  10  8
5  7  8
7  11  8

$$$$