Chem Sodium Lauryl Sulphate

Compound 12
  CheckMol                        TMF02:r0:m0
MF=C12H27NaO4S MW=290.39
 18 16  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7611    1.3165   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7405   -1.2960   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2960    0.7611   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3165   -0.7405   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5919    0.0206   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8879    0.7817   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1838    0.0411   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4798    0.8023   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7757    0.0617   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0717    0.8228   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3676    0.0823   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6636    0.8434   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9595    0.1029   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2555    0.8640   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5514    0.1234   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8474    0.8845   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6204   -0.6583   -0.0000 Na  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
  4  6  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
M  CHG  1   5  -1
M  CHG  1  18   1
M  END

Sodium Lauryl Sulphate

₹ 0.00 0.00

Chemical Name - Sodium Lauryl Sulphate
Mol Weight - 265.393
Smiles - CCCCCCCCCCCCOS([O-])(=O)=O.[Na+]

Property Name	Property Value
Mol Name	Sodium Lauryl Sulphate
Molweight	265.393
Monoisotopic Mass	265.147355
Clogp	1.7321
Clogs	-2.031
H Acceptors	4
Total Surface Area	223.23
Relative Psa	0.2368
Polar Surface Area	74.81
Druglikeness	-25.712
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.88235
Molecular Flexibility	0.55733
Molecular Complexity	0.37701
Fragments	2
Non H Atoms	17
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	12
Sp3 Atoms	15
Symmetric Atoms	1
Acidic Oxygens	1
Smiles	CCCCCCCCCCCCOS([O-])(=O)=O.[Na+]
InChIKey	InChI=1S/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1
InChI	DBMJMQXJHONAFJ-UHFFFAOYSA-M

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Sodium Lauryl Sulphate