Mrv0541 02241205442D          

  9  8  0  0  0  0            999 V2000
    2.0625   -2.1434    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.0164    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355   -1.8414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Ag  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1620

> <DATABASE_NAME>
t3db

> <SMILES>
FC(F)(F)S(=O)(=O)O[Ag]

> <INCHI_IDENTIFIER>
InChI=1S/CHF3O3S.Ag/c2-1(3,4)8(5,6)7;/h(H,5,6,7);/q;+1/p-1

> <INCHI_KEY>
QRUBYZBWAOOHSV-UHFFFAOYSA-M

> <FORMULA>
CAgF3O3S

> <MOLECULAR_WEIGHT>
256.937

> <EXACT_MASS>
255.857117191

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
9.328357090209732

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
argentio trifluoromethanesulfonate

> <ALOGPS_LOGP>
1.70

> <JCHEM_LOGP>
1.5994000000000002

> <ALOGPS_LOGS>
-1.91

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
43.370000000000005

> <JCHEM_REFRACTIVITY>
15.767500000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.19e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
argentio trifluoromethanesulfonate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1620

> <NAME>
Silver trifluoromethanesulfonate

> <CAS>
1493-13-6

> <SYNONYMS>
1,1,1-Trifluoromethanesulfonic acid; CF3-SO3H; Fluorad FC 24; HOTF; Methanesulfonic acid, trifluoro- (6ci,7ci,8ci,9ci); Perfluoromethanesulfonic acid; Silver trifluoromethanesulfonic acid; TFOH; TFS; Triflic acid; Trifluormethansulfonsaeure; Trifluoromethane sulfonic acid; Trifluoromethanesulfonic acid; Trifluoromethanesulfonic acid solution; Trifluoromethanesulphonic acid; Trifluoromethylsulfonic acid; Trimsylate

> <TYPES>
Organic Compound; Organofluoride; Silver Compound; Organometallic; Food Toxin; Industrial/Workplace Toxin; Synthetic Compound

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