Molecule

ID:77252

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₂S
Molecular Mass
175.24862
Exact Mass
175.06669966
Charge
0
InChI
InChI=1S/C7H13NO2S/c1-2-10-7(9)6-5-11-4-3-8-6/h6,8H,2-5H2,1H3
InChIKey
PGSDSYPPZAPZCW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CSCCN1
Isomeric Smiles
N1CCSCC1C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.022825565
LogD (pH = 7.4)
0.35452327
Log P
0.3609219
Molar Refractivity
45.4011
Polarizability
18.264845
Polar Surface Area
38.33
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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