Mrv0541 02241204222D          

  7  6  0  0  0  0            999 V2000
    2.8875   -2.1434    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.4289    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 Hg  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  3  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  3  0  0  0  0
  6  7  1  0  0  0  0
M  CHG  4   1  -1   2   1   6   1   7  -1
M  END
> <DATABASE_ID>
T3D0340

> <DATABASE_NAME>
t3db

> <SMILES>
[O-][N+]#C[Hg]C#[N+][O-]

> <INCHI_IDENTIFIER>
InChI=1S/2CNO.Hg/c2*1-2-3;

> <INCHI_KEY>
MHWLNQBTOIYJJP-UHFFFAOYSA-N

> <FORMULA>
C2HgN2O2

> <MOLECULAR_WEIGHT>
284.62

> <EXACT_MASS>
285.966602858

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
9.867252858875217

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(oxo-λ⁵-azanylidyne)methyl]mercurio}formonitrile oxide

> <ALOGPS_LOGP>
0.88

> <JCHEM_LOGP>
-0.7769999999999999

> <ALOGPS_LOGS>
-1.78

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.09983076224905263

> <JCHEM_POLAR_SURFACE_AREA>
61.34

> <JCHEM_REFRACTIVITY>
16.197000000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.68e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
{[(oxo-λ⁵-azanylidyne)methyl]mercurio}formonitrile oxide

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0340

> <NAME>
Mercury(II) fulminate

> <CAS>
628-86-4

> <SYNONYMS>
Bis[(oxidoazanylidyne)methyl]mercury; Fulminate of mercury; Fulminic acid, mercury(2+) salt; Fulminic acid, mercury(II) salt; Hg(CNO)2; Mercury difulminate; Mercury fulminate; Mercury(II) fulminic acid

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

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