Mrv1572004221606022D          

 34 32  0  0  0  0            999 V2000
   -8.1839   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1055   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187   -4.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187    4.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4695    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3910   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4062   -3.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2312    3.5224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7550   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6765   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187   -2.9079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187    2.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0405    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9621   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4062   -2.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2312    2.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3261   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6116    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1826    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4682   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7537    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0392   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3248    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2476   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187   -1.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187    1.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5331   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4062   -0.7645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2312    0.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187   -0.0500    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    8.4626    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 14  1  0  0  0  0
 26 15  1  0  0  0  0
 27 16  1  0  0  0  0
 28 24  1  0  0  0  0
 29 25  1  0  0  0  0
 30 26  1  0  0  0  0
 31 27  1  0  0  0  0
 32 28  1  0  0  0  0
 33 29  1  0  0  0  0
 33 30  1  0  0  0  0
 33 31  1  0  0  0  0
 33 32  1  0  0  0  0
M  CHG  2  33   1  34  -1
M  END
> <DATABASE_ID>
CHEM019728

> <DATABASE_NAME>
chemdb

> <SMILES>
[Cl-].CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C32H68P.ClH/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4;/h5-32H2,1-4H3;1H/q+1;/p-1

> <INCHI_KEY>
JCQGIZYNVAZYOH-UHFFFAOYSA-M

> <FORMULA>
C32H68ClP

> <MOLECULAR_WEIGHT>
519.32

> <EXACT_MASS>
518.4747169

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
102

> <JCHEM_AVERAGE_POLARIZABILITY>
68.63297337441412

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trihexyl(tetradecyl)phosphanium chloride

> <ALOGPS_LOGP>
9.10

> <JCHEM_LOGP>
12.685278090666664

> <ALOGPS_LOGS>
-8.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
156.70359999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
28

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.17e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
trihexyl(tetradecyl)phosphanium chloride

> <JCHEM_VEBER_RULE>
0

> <NAME>
Trihexyltetradecylphosphonium chloride

> <CAS>
258864-54-9

$$$$