3071
  -OEChem-05231306202D

 33 36  0     0  0  0  0  0  0999 V2000
    4.6783   -2.4033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5675    0.1891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3726    1.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667    1.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7044   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9690    2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9573    1.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5596    2.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5537    2.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684    0.7763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751    0.2440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -0.9206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -1.5986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1326   -0.0660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -2.9926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3526    2.2526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    1.9028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3094    3.5599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9199    3.3850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.4086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  1 25  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  9  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8 14  2  0  0  0  0
  9 15  2  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 16  1  0  0  0  0
 12 27  1  0  0  0  0
 13 17  1  0  0  0  0
 13 26  1  0  0  0  0
 14 18  1  0  0  0  0
 14 29  1  0  0  0  0
 15 19  1  0  0  0  0
 15 28  1  0  0  0  0
 16 18  2  0  0  0  0
 16 31  1  0  0  0  0
 17 19  2  0  0  0  0
 17 30  1  0  0  0  0
 18 33  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3071

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
286

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7AAAAAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAFgB/gAAHAAQAAAADAjBHgQ8wPLJkACgAzRnRACCgCAxAiAI2aA4ZJgIIOLAkZGEIAhgkADIyAcQgMAOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(1H-indol-3-ylmethyl)-1H-indole

> <PUBCHEM_IUPAC_CAS_NAME>
3-(1H-indol-3-ylmethyl)-1H-indole

> <PUBCHEM_IUPAC_NAME>
3-(1H-indol-3-ylmethyl)-1H-indole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(1H-indol-3-ylmethyl)-1H-indole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(1H-indol-3-ylmethyl)-1H-indole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2

> <PUBCHEM_IUPAC_INCHIKEY>
VFTRKSBEFQDZKX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
4.3

> <PUBCHEM_EXACT_MASS>
246.115698

> <PUBCHEM_MOLECULAR_FORMULA>
C17H14N2

> <PUBCHEM_MOLECULAR_WEIGHT>
246.30646

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C(=CN2)CC3=CNC4=CC=CC=C43

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C(=CN2)CC3=CNC4=CC=CC=C43

> <PUBCHEM_CACTVS_TPSA>
31.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
246.115698

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
1  11  8
1  8  8
12  16  8
13  17  8
14  18  8
15  19  8
16  18  8
17  19  8
2  10  8
2  9  8
4  11  8
4  7  8
5  10  8
5  6  8
6  13  8
6  9  8
7  12  8
7  8  8
8  14  8
9  15  8

$$$$