Chem 1 Decane Sulphonic Acid Sodium Salt Molychem

Compound 318
  CheckMol                        TMF02:r0:m0
MF=C10H23NaO3S MW=246.34
 15 13  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    1.3164   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7405   -1.2959   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3164   -0.7405   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2959    0.7611   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    0.0206   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8876    0.7816   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1834    0.0411   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4793    0.8022   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7751    0.0617   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0710    0.8228   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3668    0.0823   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6627    0.8433   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9585    0.1028   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6202   -0.6582   -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
  5  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
M  CHG  1   4  -1
M  CHG  1  15   1
M  END

1-Decane Sulphonic Acid Sodium Salt

₹ 0.00 0.00

Chemical Name - 1-Decane Sulphonic Acid Sodium Salt
Mol Weight - 221.34
Smiles - CCCCCCCCCCS([O-])(=O)=O.[Na+]

Property Name	Property Value
Mol Name	1-Decane Sulphonic Acid Sodium Salt
Molweight	221.34
Monoisotopic Mass	221.12114
Clogp	1.0645
Clogs	-2.368
H Acceptors	3
Total Surface Area	185.71
Relative Psa	0.23079
Polar Surface Area	65.58
Druglikeness	-34.411
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.85714
Molecular Flexibility	0.55794
Molecular Complexity	0.41415
Fragments	2
Non H Atoms	14
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	9
Sp3 Atoms	12
Symmetric Atoms	1
Acidic Oxygens	1
Smiles	CCCCCCCCCCS([O-])(=O)=O.[Na+]
InChIKey	InChI=1S/C10H22O3S.Na/c1-2-3-4-5-6-7-8-9-10-14(11,12)13;/h2-10H2,1H3,(H,11,12,13);/q;+1/p-1
InChI	AIMUHNZKNFEZSN-UHFFFAOYSA-M

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1 - 1-Decane Sulphonic Acid Sodium Salt
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1-Decane Sulphonic Acid Sodium Salt