Mrv0541 05061308052D          

  7  6  0  0  0  0            999 V2000
    1.2375   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    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    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    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 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  7  4  2  0  0  0  0
  7  5  2  0  0  0  0
  7  6  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM028809

> <DATABASE_NAME>
chemdb

> <SMILES>
OS(=O)(=O)ON=O

> <INCHI_IDENTIFIER>
InChI=1S/HNO5S/c2-1-6-7(3,4)5/h(H,3,4,5)

> <INCHI_KEY>
VQTGUFBGYOIUFS-UHFFFAOYSA-N

> <FORMULA>
HNO5S

> <MOLECULAR_WEIGHT>
127.077

> <EXACT_MASS>
126.957542837

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
8.013959311158988

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(nitrosooxy)sulfonic acid

> <JCHEM_LOGP>
-0.07710904166666663

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.14752811008658

> <JCHEM_PKA_STRONGEST_BASIC>
-6.472362106721552

> <JCHEM_POLAR_SURFACE_AREA>
93.02999999999999

> <JCHEM_REFRACTIVITY>
18.7135

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
nitrosylsulfuric acid

> <JCHEM_VEBER_RULE>
0

> <NAME>
Nitrosylsulfuric acid

> <CAS>
7782-78-7

$$$$