Molecule

ID:30129

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀N₂O₄S
Molecular Mass
182.1982
Exact Mass
182.03612781
Charge
0
InChI
InChI=1S/C4H10N2O4S/c1-6(2)11(9,10)5-3-4(7)8/h5H,3H2,1-2H3,(H,7,8)
InChIKey
LPEFHGNOQILWOZ-UHFFFAOYSA-N
Canonic Smiles
CN(S(=O)(=O)NCC(=O)O)C
Isomeric Smiles
S(=O)(=O)(NCC(=O)O)N(C)C
Calculated Properties
JChem
Acid pKa
3.2659762
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-4.058044
LogD (pH = 7.4)
-5.275466
Log P
-1.8422924
Molar Refractivity
37.6163
Polarizability
15.686517
Polar Surface Area
86.71
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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