Mrv1533004241522192D          

 23 22  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 B   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1821    0.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8966   -0.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6111    0.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3256   -0.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0400    0.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7545   -0.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4690    0.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1834   -0.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8979    0.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6124   -0.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3269    0.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0413   -0.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7558    0.0294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8420    0.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6490    1.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0615    0.3069    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.5095   -0.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8820    0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  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
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 18 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  CHG  2   1  -1  21   1
M  END
> <DATABASE_ID>
CHEM020342

> <DATABASE_NAME>
chemdb

> <SMILES>
F[B-](F)(F)F.CCCCCCCCCCCCN1C=C[N+](C)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C16H31N2.BF4/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18;2-1(3,4)5/h14-16H,3-13H2,1-2H3;/q+1;-1

> <INCHI_KEY>
DXBLSHGDRZIBJZ-UHFFFAOYSA-N

> <FORMULA>
C16H31BF4N2

> <MOLECULAR_WEIGHT>
338.24

> <EXACT_MASS>
338.251642

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
54

> <JCHEM_AVERAGE_POLARIZABILITY>
34.026193094922675

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-dodecyl-3-methyl-1H-imidazol-3-ium; tetrafluoroboranuide

> <ALOGPS_LOGP>
5.01

> <JCHEM_LOGP>
1.4105718735282546

> <ALOGPS_LOGS>
-6.53

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_POLAR_SURFACE_AREA>
8.809999999999999

> <JCHEM_REFRACTIVITY>
79.5343

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.01e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-dodecyl-3-methylimidazolium tetrafluoroborate

> <JCHEM_VEBER_RULE>
0

> <NAME>
1-Dodecyl-3-methylimidazolium tetrafluoroborate

> <CAS>
244193-59-7

$$$$