Mrv0541 02231218072D          

 18 18  0  0  0  0            999 V2000
    1.7606    1.7779    0.0000 Ag  0  3  0  0  0  0  0  0  0  0  0  0
    2.4751    0.5404    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.5404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3001    0.5404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751    1.3654    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    2.4751   -2.7597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    2.6029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9041    1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606   -0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -1.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606   -1.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -1.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9041    3.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6185    1.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6185    2.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  5 15  1  0  0  0  0
  6 12  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  2  0  0  0  0
  8 15  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
M  CHG  2   1   1   5  -1
M  END
> <DATABASE_ID>
T3D3068

> <DATABASE_NAME>
t3db

> <SMILES>
[Ag+].NC1=CC=C(C=C1)S(=O)(=O)[N-]C1=NC=CC=N1

> <INCHI_IDENTIFIER>
InChI=1S/C10H9N4O2S.Ag/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;/h1-7H,11H2;/q-1;+1

> <INCHI_KEY>
UEJSSZHHYBHCEL-UHFFFAOYSA-N

> <FORMULA>
C10H9AgN4O2S

> <MOLECULAR_WEIGHT>
357.137

> <EXACT_MASS>
355.949714262

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
24.09585918328235

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
silver(1+) ion 4-{[(pyrimidin-2-yl)azanidyl]sulfonyl}aniline

> <ALOGPS_LOGP>
0.19

> <JCHEM_LOGP>
0.38726080800000007

> <ALOGPS_LOGS>
-1.66

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.989915444982717

> <JCHEM_PKA_STRONGEST_BASIC>
2.013677898293487

> <JCHEM_POLAR_SURFACE_AREA>
95.17

> <JCHEM_REFRACTIVITY>
63.40090000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.87e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
silver(1+) ion sulfadiazinate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D3068

> <NAME>
Silver sulfadiazine

> <CAS>
22199-08-2

> <SYNONYMS>
Dermazin; Flamazine; Silvadene; Silver sulfadiazinate; Silver sulphadiazine; Silverol; SSD; Sulfadiazine silver; Sulfadiazine silver salt; Thermazene

> <TYPES>
Organic Compound; Amine; Amide; Drug; Anti-Infective Agent, Local; Anti-Bacterial Agent; Antibiotic, Topical; Metabolite; Sulfonamide; Synthetic Compound

$$$$