Mrv1572004221606392D          

 14 13  0  0  0  0            999 V2000
   -0.9565   -1.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3534   -1.1228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6084   -0.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0591    0.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6554    1.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7265   -0.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4716   -1.1228    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.0591    0.1468    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6554    2.2093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2483    0.0000    0.0000 B   0  5  0  0  0  0  0  0  0  0  0  0
    3.2483   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2483    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0733   -0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4233    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  5  4  1  0  0  0  0
  7  1  1  0  0  0  0
  7  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  3  1  0  0  0  0
  8  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  1  0  0  0  0
 14 10  1  0  0  0  0
M  CHG  2   7   1  10  -1
M  END
> <DATABASE_ID>
CHEM020372

> <DATABASE_NAME>
chemdb

> <SMILES>
F[B-](F)(F)F.C[N+]1=CN(CCO)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C6H11N2O.BF4/c1-7-2-3-8(6-7)4-5-9;2-1(3,4)5/h2-3,6,9H,4-5H2,1H3;/q+1;-1

> <INCHI_KEY>
KLTUZFZUYLXTFF-UHFFFAOYSA-N

> <FORMULA>
C6H11BF4N2O

> <MOLECULAR_WEIGHT>
213.97

> <EXACT_MASS>
214.090056

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
14.009558324396908

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-(2-hydroxyethyl)-3-methyl-1H-imidazol-3-ium; tetrafluoroboranuide

> <ALOGPS_LOGP>
2.46

> <JCHEM_LOGP>
-4.159978473138412

> <ALOGPS_LOGS>
-4.31

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.450036323246174

> <JCHEM_PKA_STRONGEST_BASIC>
-2.6019541122121224

> <JCHEM_POLAR_SURFACE_AREA>
29.04

> <JCHEM_REFRACTIVITY>
35.144999999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.05e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-(2-hydroxyethyl)-1-methylimidazol-1-ium tetrafluoroborate

> <JCHEM_VEBER_RULE>
1

> <NAME>
1-(2-Hydroxyethyl)-3-methylimidazolium tetrafluoroborate

> <CAS>
374564-83-7

$$$$