Mrv0541 02231215012D          

 18 16  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.2393   -0.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9538    0.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6682   -0.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3827    0.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0972   -0.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8116    0.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5261   -0.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2406    0.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9551   -0.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6695    0.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3840   -0.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0985    0.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8129   -0.2669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5274    0.1456    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2419    0.5581    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.9399   -0.5689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1149    0.8601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  2  0  0  0  0
M  CHG  2   1   1  16  -1
M  END
> <DATABASE_ID>
DB00815

> <DATABASE_NAME>
drugbank

> <SMILES>
[Na+].CCCCCCCCCCCCOS([O-])(=O)=O

> <INCHI_IDENTIFIER>
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_KEY>
DBMJMQXJHONAFJ-UHFFFAOYSA-M

> <FORMULA>
C12H25NaO4S

> <MOLECULAR_WEIGHT>
288.379

> <EXACT_MASS>
288.137124653

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.9999999964588456

> <JCHEM_AVERAGE_POLARIZABILITY>
31.165423763106304

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
sodium dodecyl sulfate

> <ALOGPS_LOGP>
3.86

> <JCHEM_LOGP>
4.4168570339999995

> <ALOGPS_LOGS>
-4.38

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-1

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-1.450855135938677

> <JCHEM_POLAR_SURFACE_AREA>
66.43

> <JCHEM_REFRACTIVITY>
67.81299999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.21e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00815

> <SECONDARY_ACCESSION_NUMBERS>
APRD01606

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Sodium lauryl sulfate

> <SYNONYMS>
Laurylsiran sodny; NaDS; Natrium laurylsulfuricum; SDS; SLS; Sodium dodecyl sulfate; Sodium dodecyl sulphate; Sodium dodecylsulfate; Sodium laurilsulfate; Sodium lauryl sulfate; Sodium lauryl sulphate

> <PRODUCTS>
Bamboo Salt; Bamboo Salt 160g; Dr.G Hydra Intensive Moist Cleansing gel; For Sope; Liquid; Medi Hydro DP Cleanser; Plax Anti-plaque Dental Rinse; Sensible; Trimo San; Trimo-San

> <INTERNATIONAL_BRANDS>
Anticerumen; Emal 10; Empicol; Genapol LSS; Irium

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