Mrv0541 02241205182D          

 11 10  0  0  0  0            999 V2000
    1.7605   -1.0164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.4289    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039   -1.4289    0.0000 Co  0  0  0  0  0  0  0  0  0  0  0  0
    4.6184   -1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -1.4289    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -1.0164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454   -2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9204   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1402

> <DATABASE_NAME>
t3db

> <SMILES>
NS(=O)(=O)O[Co]OS(N)(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/Co.2H3NO3S/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2

> <INCHI_KEY>
WLQXLCXXAPYDIU-UHFFFAOYSA-L

> <FORMULA>
CoH4N2O6S2

> <MOLECULAR_WEIGHT>
251.105

> <EXACT_MASS>
250.884277444

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
15.505424897619665

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(sulfamoyloxy)cobaltio sulfamate

> <JCHEM_LOGP>
-1.9294

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.267566709235098

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.653342227701403

> <JCHEM_PKA_STRONGEST_BASIC>
-5.6348019210699976

> <JCHEM_POLAR_SURFACE_AREA>
138.78

> <JCHEM_REFRACTIVITY>
28.183600000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(sulfamoyloxy)cobaltio sulfamate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1402

> <NAME>
Cobalt(II) sulfamate

> <CAS>
14017-41-5

> <SYNONYMS>
Cobalt(2+) disulphamate; Cobalt(II) sulfamic acid; Cobalt(II) sulphamate; Cobalt(II) sulphamic acid; Cobaltous sulfamate; Sulfamic acid, cobalt(2+) salt (2:1)

> <TYPES>
Inorganic Compound; Cobalt Compound; Pollutant; Industrial/Workplace Toxin; Synthetic Compound

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