Mrv1572004221606012D          

 19 18  0  0  0  0            999 V2000
   -3.3937    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6793    0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9648    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2503    0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3220   -0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5359    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3220    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6076   -1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1786    0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6076    0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8931   -0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8931    0.1031    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5024   -0.7145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3274    0.7145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5024    0.7145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0899   -0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3274   -0.7145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7399    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9149    0.0000    0.0000 P   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  2  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 12 10  2  0  0  0  0
 12 11  1  0  0  0  0
 19 13  1  0  0  0  0
 19 14  1  0  0  0  0
 19 15  1  0  0  0  0
 19 16  1  0  0  0  0
 19 17  1  0  0  0  0
 19 18  1  0  0  0  0
M  CHG  2  12   1  19  -1
M  END
> <DATABASE_ID>
CHEM019720

> <DATABASE_NAME>
chemdb

> <SMILES>
F[P-](F)(F)(F)(F)F.CCCCCC[N+]1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C11H18N.F6P/c1-2-3-4-6-9-12-10-7-5-8-11-12;1-7(2,3,4,5)6/h5,7-8,10-11H,2-4,6,9H2,1H3;/q+1;-1

> <INCHI_KEY>
DKRTWJPQQYAIHH-UHFFFAOYSA-N

> <FORMULA>
C11H18F6NP

> <MOLECULAR_WEIGHT>
309.236

> <EXACT_MASS>
309.10810556

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
20.90257849223122

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-hexylpyridin-1-ium; hexafluoro-λ⁵-phosphanuide

> <ALOGPS_LOGP>
4.80

> <JCHEM_LOGP>
-0.9747586261384122

> <ALOGPS_LOGS>
-6.15

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_POLAR_SURFACE_AREA>
3.88

> <JCHEM_REFRACTIVITY>
53.13210000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.18e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-hexylpyridin-1-ium hexafluorophosphate

> <JCHEM_VEBER_RULE>
1

> <NAME>
1-Hexylpyridinium hexafluorophosphate

> <CAS>
797789-00-5

$$$$