Molecule

ID:51267

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₄S
Molecular Mass
207.24742
Exact Mass
207.0565289
Charge
0
InChI
InChI=1S/C7H13NO4S/c1-13(11,12)8-4-2-3-6(5-8)7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKey
JYNPFTCJJVIWTD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCN(C1)S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(N1CC(C(=O)O)CCC1)C
Calculated Properties
JChem
Acid pKa
3.8047745
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.5564635
LogD (pH = 7.4)
-4.119063
Log P
-0.85887927
Molar Refractivity
46.0882
Polarizability
18.890009
Polar Surface Area
74.68
Rotatable Bonds
1
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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