Mrv1572004191603232D          

 15 14  0  0  0  0            999 V2000
    0.7373    1.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8746   -1.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0229    1.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4354   -0.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6903   -0.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6446   -0.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3896   -0.8466    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0229    0.4229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8641   -0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0391   -0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9766    0.2041    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8016    1.0291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8016   -0.6209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6266    0.2041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8016    0.2041    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  5  4  2  0  0  0  0
  7  2  1  0  0  0  0
  7  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  3  1  0  0  0  0
  8  5  1  0  0  0  0
  8  6  1  0  0  0  0
 10  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 15 12  2  0  0  0  0
 15 13  2  0  0  0  0
 15 14  1  0  0  0  0
M  CHG  2   7   1  11  -1
M  END
> <DATABASE_ID>
CHEM011904

> <DATABASE_NAME>
chemdb

> <SMILES>
CCOS([O-])(=O)=O.CCN1C=C[N+](C)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C6H11N2.C2H6O4S/c1-3-8-5-4-7(2)6-8;1-2-6-7(3,4)5/h4-6H,3H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1

> <INCHI_KEY>
VRFOKYHDLYBVAL-UHFFFAOYSA-M

> <FORMULA>
C8H16N2O4S

> <MOLECULAR_WEIGHT>
236.29

> <EXACT_MASS>
236.083078177

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
13.03886569074974

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-ethyl-3-methyl-1H-imidazol-3-ium ethyl sulfate

> <ALOGPS_LOGP>
-2.51

> <JCHEM_LOGP>
-3.1130685064717456

> <ALOGPS_LOGS>
-2.07

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_POLAR_SURFACE_AREA>
8.809999999999999

> <JCHEM_REFRACTIVITY>
33.601299999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.03e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-ethyl-3-methylimidazolium ethyl sulfate

> <JCHEM_VEBER_RULE>
1

> <NAME>
1H-Imidazolium, 3-ethyl-1-methyl-, ethyl sulfate (1:1)

> <CAS>
342573-75-5

> <SYNONYMS>
1-Ethyl-3-methylimidazolium ethyl sulfate; 1-Ethyl-3-methylimidazolium ethylsulfate

$$$$