24880821
  -OEChem-04182419072D

 36 38  0     0  0  0  0  0  0999 V2000
    2.0000    1.6345    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279    0.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1279   -1.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.1702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    1.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    1.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6279   -0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6279   -0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279    1.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1279   -1.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369    2.0286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179   -0.7685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179    2.0375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0453   -0.4436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7356   -0.8421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2105   -0.0195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5202    0.3790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379   -0.7685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379    2.0375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.1755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5453   -1.3096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2356   -1.7081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4379   -1.6345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 10  1  0  0  0  0
  2 13  1  0  0  0  0
  3 21  1  0  0  0  0
  3 36  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 16  1  0  0  0  0
  9 22  1  0  0  0  0
 10 17  2  0  0  0  0
 10 18  1  0  0  0  0
 11 17  1  0  0  0  0
 11 23  1  0  0  0  0
 12 18  2  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 21  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 19  2  0  0  0  0
 15 29  1  0  0  0  0
 16 20  2  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  ISO  1   1 123
M  END
> <PUBCHEM_COMPOUND_CID>
24880821

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
323

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAAAgAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHgAgCAAADAzjnwY9tp8MHgCgAzZnZACCiC0xMqAJ2CA+fJiMfuLEuZuWeCjtwBPI6CeQ0IMOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[4-(6-(123I)iodanylimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
3-[4-(6-(123I)iodanyl-2-imidazo[1,2-a]pyridinyl)phenoxy]-1-propanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[4-(6-(<SUP>123</SUP>I)iodanylimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-1-ol

> <PUBCHEM_IUPAC_NAME>
3-[4-(6-(123I)iodanylimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[4-(6-(123I)iodanylimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[4-(6-(123I)iodanylimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H15IN2O2/c17-13-4-7-16-18-15(11-19(16)10-13)12-2-5-14(6-3-12)21-9-1-8-20/h2-7,10-11,20H,1,8-9H2/i17-4

> <PUBCHEM_IUPAC_INCHIKEY>
LHOLEEXIGAICPS-HHRLKWFBSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
390.01894

> <PUBCHEM_MOLECULAR_FORMULA>
C16H15IN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
390.21

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1C2=CN3C=C(C=CC3=N2)I)OCCCO

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1C2=CN3C=C(C=CC3=N2)[123I])OCCCO

> <PUBCHEM_CACTVS_TPSA>
46.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
390.01894

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
1

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

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

$$$$