Mrv1572009221513152D          

 13 14  0  0  0  0            999 V2000
   -1.0717    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    1.6498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861    0.8250    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.6498    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  1 12  1  0  0  0  0
  3 13  1  0  0  0  0
M  END
> <DATABASE_ID>
DB09115

> <DATABASE_NAME>
drugbank

> <SMILES>
OC1=C2N=CC=CC2=C(I)C=C1I

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

> <INCHI_KEY>
UXZFQZANDVDGMM-UHFFFAOYSA-N

> <FORMULA>
C9H5I2NO

> <MOLECULAR_WEIGHT>
396.954

> <EXACT_MASS>
396.84605

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
18

> <JCHEM_AVERAGE_POLARIZABILITY>
25.8989855828231

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
3.93

> <JCHEM_LOGP>
3.685224106333333

> <ALOGPS_LOGS>
-3.69

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.386587870521277

> <JCHEM_PKA_STRONGEST_BASIC>
3.3449309426391824

> <JCHEM_POLAR_SURFACE_AREA>
33.120000000000005

> <JCHEM_REFRACTIVITY>
68.6852

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.15e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
iodoquinol

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB09115

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Diiodohydroxyquinoline

> <SYNONYMS>
Diiodohydroxyquin; Diiodohydroxyquinoline; Iodoquinol; Ioquin

> <PRODUCTS>
Alcortin; Alcortin A; Aloquin; Corti-Sav; Dermazene; Diodoquin Tab 210mg; Diodoquin Tab 650mg; Hydro-Iodoquinol; Hydrocortisone 2.5% / Iodoquinol 1% / Ketoconazole 2%; Hydrocortisone Acetate, Iodoquinol; Hydrocortisone Iodoquinol; Hydrocortisone, Iodoquinol; Iodoquinol 1% - Hydrocortisone Acetate 2% - Aloe Polysaccharides 1%; Iodoquinol Hydrocortisone Acetate Aloe Polysaccharides; Iodoquinol, Hydrocortisone Acetate, Aloe Polysaccharides; Ovoquinol Cones; Ovoquinol Crm Vaginale; Quinja; Skynplex; Vytone; hydrocortisone Iodoquinol

$$$$