3728
  DSViewer          3D                             0

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.3522    3.5358    0.0002 I   0  0  0  0  0  0  0  0  0  1
    0.3971   -1.6518    0.0001 I   0  0  0  0  0  0  0  0  0  2
    3.4456   -2.7282    0.0001 O   0  0  0  0  0  0  0  0  0  3
    5.8659   -1.2746    0.0001 N   0  0  0  0  0  0  0  0  0  4
    4.6304    0.7552    0.0001 C   0  0  0  0  0  0  0  0  0  5
    4.6437   -0.5765    0.0001 C   0  0  0  0  0  0  0  0  0  6
    3.3845   -1.3266    0.0001 C   0  0  0  0  0  0  0  0  0  7
    3.3644    1.4756    0.0002 C   0  0  0  0  0  0  0  0  0  8
    5.8869    1.4872    0.0001 C   0  0  0  0  0  0  0  0  0  9
    2.2178   -0.6645    0.0001 C   0  0  0  0  0  0  0  0  0 10
    2.2172    0.8020    0.0002 C   0  0  0  0  0  0  0  0  0 11
    7.0261    0.8039    0.0001 C   0  0  0  0  0  0  0  0  0 12
    6.9820   -0.6593    0.0001 C   0  0  0  0  0  0  0  0  0 13
    5.8938    2.5772    0.0001 H   0  0  0  0  0  0  0  0  0 14
    1.2712    1.3434    0.0002 H   0  0  0  0  0  0  0  0  0 15
    7.9825    1.3267    0.0001 H   0  0  0  0  0  0  0  0  0 16
    7.9121   -1.2277    0.0000 H   0  0  0  0  0  0  0  0  0 17
    2.5518   -3.1218    0.0001 H   0  0  0  0  0  0  0  0  0 18
  1  8  1  0  0  0
  2 10  1  0  0  0
  3  7  1  0  0  0
  3 18  1  0  0  0
  4  6  1  0  0  0
  4 13  2  0  0  0
  5  6  2  0  0  0
  5  8  1  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  7 10  2  0  0  0
  8 11  2  0  0  0
  9 12  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 12 16  1  0  0  0
 13 17  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3728

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
191

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYByIAAAAwAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHgAgCAAADAzDngQ8xvIIEgCgAzRnRASCgCAxYiAI2CA9bJgKJuLSkZOEcAhkwBHY2AeQwLAOAAABAAACEAAAAAIAAAQgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5,7-diiodoquinolin-8-ol

> <PUBCHEM_IUPAC_CAS_NAME>
5,7-diiodo-8-quinolinol

> <PUBCHEM_IUPAC_NAME>
5,7-diiodoquinolin-8-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5,7-bis(iodanyl)quinolin-8-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5,7-diiodoquinolin-8-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H5I2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H

> <PUBCHEM_IUPAC_INCHIKEY>
UXZFQZANDVDGMM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
396.846

> <PUBCHEM_MOLECULAR_FORMULA>
C9H5I2NO

> <PUBCHEM_MOLECULAR_WEIGHT>
396.951

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=C(C(=C(C=C2I)I)O)N=C1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=C(C(=C(C=C2I)I)O)N=C1

> <PUBCHEM_CACTVS_TPSA>
33.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
396.846

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
12  13  8
4  13  8
4  6  8
5  6  8
5  8  8
5  9  8
6  7  8
7  10  8
8  11  8
9  12  8

$$$$
