15919788
  -OEChem-04252405182D

 23 24  0     0  0  0  0  0  0999 V2000
    2.5369    0.8310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1648    0.6970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648    1.5630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -0.9737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812    0.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648   -0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1648    0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738    1.2251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738   -1.5630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5572   -0.7796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2474   -0.3810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.4510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.7890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4748    1.2340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 22  1  0  0  0  0
  2 14  1  0  0  0  0
  2 23  1  0  0  0  0
  3 14  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 15  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 12  2  0  0  0  0
 10 19  1  0  0  0  0
 11 13  2  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
15919788

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
231

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgAQCAAADAyBngAwzvLJkgCoAyTyTACCgCAhIiAImSE2bJgIJvrClZOEcAhm0BHI2Ae42LOOAEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(5-hydroxy-1H-indol-2-yl)acetic acid

> <PUBCHEM_IUPAC_CAS_NAME>
2-(5-hydroxy-1H-indol-2-yl)acetic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(5-hydroxy-1<I>H</I>-indol-2-yl)acetic acid

> <PUBCHEM_IUPAC_NAME>
2-(5-hydroxy-1H-indol-2-yl)acetic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(5-oxidanyl-1H-indol-2-yl)ethanoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(5-hydroxy-1H-indol-2-yl)acetic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H9NO3/c12-8-1-2-9-6(4-8)3-7(11-9)5-10(13)14/h1-4,11-12H,5H2,(H,13,14)

> <PUBCHEM_IUPAC_INCHIKEY>
KCWQSNFJXVMEQC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.2

> <PUBCHEM_EXACT_MASS>
191.058243149

> <PUBCHEM_MOLECULAR_FORMULA>
C10H9NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
191.18

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=C(C=C1O)C=C(N2)CC(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=C(C=C1O)C=C(N2)CC(=O)O

> <PUBCHEM_CACTVS_TPSA>
73.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
191.058243149

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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  12  8
11  13  8
12  13  8
4  6  8
4  7  8
5  10  8
5  6  8
5  8  8
6  11  8
7  8  8

$$$$