Molecule

ID:51266

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)8-5-3-2-4-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKey
FHJBZSSPDCFJEG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCCN1S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(N1C(C(=O)O)CCCC1)C
Calculated Properties
JChem
Acid pKa
3.3807218
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.6535888
LogD (pH = 7.4)
-3.9552999
Log P
-0.5475917
Molar Refractivity
45.8322
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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