Mrv1572004221606382D          

 17 16  0  0  0  0            999 V2000
   -3.4669   -0.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9461    0.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7524   -0.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0380   -0.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3235   -0.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6090   -0.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1054   -0.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7131    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9061    0.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736   -0.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1256    0.2185    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.8199   -0.0590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5390    0.0000    0.0000 B   0  5  0  0  0  0  0  0  0  0  0  0
    5.5390   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5390    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3640   -0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7140    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  9  8  2  0  0  0  0
 11  2  1  0  0  0  0
 11  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12  7  1  0  0  0  0
 12  9  1  0  0  0  0
 12 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 13  1  0  0  0  0
 17 13  1  0  0  0  0
M  CHG  2  11   1  13  -1
M  END
> <DATABASE_ID>
CHEM020341

> <DATABASE_NAME>
chemdb

> <SMILES>
F[B-](F)(F)F.CCCCCCN1C=C[N+](C)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H19N2.BF4/c1-3-4-5-6-7-12-9-8-11(2)10-12;2-1(3,4)5/h8-10H,3-7H2,1-2H3;/q+1;-1

> <INCHI_KEY>
MFXLOVLEQJRXFP-UHFFFAOYSA-N

> <FORMULA>
C10H19BF4N2

> <MOLECULAR_WEIGHT>
254.08

> <EXACT_MASS>
254.157741

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
21.318332573169556

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
3.80

> <JCHEM_LOGP>
-1.2568401164717455

> <ALOGPS_LOGS>
-5.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_POLAR_SURFACE_AREA>
8.809999999999999

> <JCHEM_REFRACTIVITY>
51.92830000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.40e-04 g/l

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

> <JCHEM_VEBER_RULE>
1

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

> <CAS>
244193-50-8

$$$$