Molecule

ID:33878

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO₄S₂
Molecular Mass
275.34452
Exact Mass
275.0285999
Charge
0
InChI
InChI=1S/C10H13NO4S2/c1-15-10(12)9-8(4-7-16-9)17(13,14)11-5-2-3-6-11/h4,7H,2-3,5-6H2,1H3
InChIKey
BOASVJRRVWFFPU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sccc1S(=O)(=O)N1CCCC1
Isomeric Smiles
S(=O)(=O)(c1c(C(=O)OC)scc1)N1CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3487846
LogD (pH = 7.4)
1.3487846
Log P
1.3487846
Molar Refractivity
64.4655
Polarizability
25.514122
Polar Surface Area
63.68
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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