Chem Tetra Butyl Ammonium Hydrogen Sulphate

Compound 16
  CheckMol                        TMF02:r0:m0
MF=C16H37NO4S MW=339.53
 22 20  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2892   -0.7333   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5139   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4903   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3128   -0.7333   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2449   -0.6623   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2567    0.8516   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9557   -1.3956   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5577    0.1064   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5577   -1.4075   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9675    1.6085   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9675   -2.8859   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8706   -0.6269   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5695   -2.8977   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9793    3.1224   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6783   -3.6192   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1834    0.1301   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8824   -3.6428   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6902    3.8794   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6902   -5.1094   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4962   -0.6032   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8942   -5.1331   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  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
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  CHG  1   5  -1
M  CHG  1   6   1
M  END

Tetra Butyl ammonium Hydrogen Sulphate

₹ 0.00 0.00

Chemical Name - Tetra Butyl ammonium Hydrogen Sulphate
Mol Weight - 242.469
Smiles - CCCC[N+](CCCC)(CCCC)CCCC.[O-]S(O)(=O)=O

Property Name	Property Value
Mol Name	Tetra Butyl ammonium Hydrogen Sulphate
Molweight	242.469
Monoisotopic Mass	242.284774
Clogp	2.187
Clogs	-2.902
H Acceptors	1
Total Surface Area	233.54
Relative Psa	-0.032628
Druglikeness	-4.9863
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.52941
Molecular Flexibility	0.67542
Molecular Complexity	0.35499
Fragments	2
Non H Atoms	17
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	12
Sp3 Atoms	17
Symmetric Atoms	12
Amines	1
Alkyl Amines	1
Smiles	CCCC[N+](CCCC)(CCCC)CCCC.[O-]S(O)(=O)=O
InChIKey	InChI=1S/C16H36N.H2O4S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
InChI	SHFJWMWCIHQNCP-UHFFFAOYSA-M

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Tetra Butyl ammonium Hydrogen Sulphate