23035
  -OEChem-05012417492D

 32 35  0     0  0  0  0  0  0999 V2000
    6.5348    1.3439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.3439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8455   -1.2161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.2161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917    0.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917   -0.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8455    0.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6577    0.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6577   -1.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5238    0.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5238   -0.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6529   -1.8054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -1.8054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6577    1.2087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6577   -2.0313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0607    0.3987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.3987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0607   -1.2213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.2213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9489    1.8054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5749    1.8054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 31  1  0  0  0  0
  2 12  1  0  0  0  0
  2 32  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  2  0  0  0  0
 10 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 23  1  0  0  0  0
 14 18  1  0  0  0  0
 14 24  1  0  0  0  0
 15 19  1  0  0  0  0
 15 25  1  0  0  0  0
 16 20  1  0  0  0  0
 16 26  1  0  0  0  0
 17 19  2  0  0  0  0
 17 27  1  0  0  0  0
 18 20  2  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
23035

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
330

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAAAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAFgB/gAAHgAQCAAADAyBngAwxvLJkgCgAyRiRASCgCAhYiAImSA1bJgKZuLSkZOUcAhm0BnY2AfQwPAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol

> <PUBCHEM_IUPAC_CAS_NAME>
2-(3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(3-hydroxy-1<I>H</I>-indol-2-yl)-1<I>H</I>-indol-3-ol

> <PUBCHEM_IUPAC_NAME>
2-(3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(3-oxidanyl-1H-indol-2-yl)-1H-indol-3-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(3-hydroxy-1H-indol-2-yl)indoxyl

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H12N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-20H

> <PUBCHEM_IUPAC_INCHIKEY>
VIFKLIUAPGUEBV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
264.089877630

> <PUBCHEM_MOLECULAR_FORMULA>
C16H12N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
264.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C(=C(N2)C3=C(C4=CC=CC=C4N3)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C(=C(N2)C3=C(C4=CC=CC=C4N3)O)O

> <PUBCHEM_CACTVS_TPSA>
72

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
264.089877630

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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  16  8
13  17  8
14  18  8
15  19  8
16  20  8
17  19  8
18  20  8
3  5  8
3  9  8
4  10  8
4  6  8
5  11  8
6  12  8
7  11  8
7  13  8
7  9  8
8  10  8
8  12  8
8  14  8
9  15  8

$$$$