644464
  -OEChem-05132401332D

 30 32  0     0  0  0  0  0  0999 V2000
    2.9789   -1.7403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7224   -1.7403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8507    1.1203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3507   -0.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3507   -0.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417    0.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6597    0.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6657   -1.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0356   -1.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0263    0.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6751    0.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6452   -0.9946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0562   -0.9946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3233   -0.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3780   -0.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7014   -1.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8507    1.7403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8641   -1.7907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8372   -1.7907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8415    1.3566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8599    1.3566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7174    0.1273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9840    0.1273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1266   -0.9292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3931   -1.4096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8734   -2.1431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8279   -2.1431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3083   -1.4096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5748   -0.9292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 16  1  0  0  0  0
  2 13  1  0  0  0  0
  2 17  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 19  1  0  0  0  0
  9 13  2  0  0  0  0
  9 20  1  0  0  0  0
 10 14  2  0  0  0  0
 10 21  1  0  0  0  0
 11 15  2  0  0  0  0
 11 22  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
644464

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
245

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB/AAAHgAQAAAADAyBngIyxvLJlACgAyRiRACCiCAhIiAImSA2bJgMJuLEsZuEMChk0BHI6Aew0PMOgEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3,6-dimethoxy-9H-carbazole

> <PUBCHEM_IUPAC_CAS_NAME>
3,6-dimethoxy-9H-carbazole

> <PUBCHEM_IUPAC_NAME_MARKUP>
3,6-dimethoxy-9<I>H</I>-carbazole

> <PUBCHEM_IUPAC_NAME>
3,6-dimethoxy-9H-carbazole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,6-dimethoxy-9H-carbazole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3,6-dimethoxy-9H-carbazole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H13NO2/c1-16-9-3-5-13-11(7-9)12-8-10(17-2)4-6-14(12)15-13/h3-8,15H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
YQKMWXHJSIEAEX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
227.094628657

> <PUBCHEM_MOLECULAR_FORMULA>
C14H13NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
227.26

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC2=C(C=C1)NC3=C2C=C(C=C3)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC2=C(C=C1)NC3=C2C=C(C=C3)OC

> <PUBCHEM_CACTVS_TPSA>
34.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
227.094628657

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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  14  8
11  15  8
12  14  8
13  15  8
3  6  8
3  7  8
4  5  8
4  6  8
4  8  8
5  7  8
5  9  8
6  10  8
7  11  8
8  12  8
9  13  8

$$$$