Molecule

ID:13832

General Information
Structure
Molecular Formula
C₄H₉NO₃S
Molecular Mass
151.18416
Exact Mass
151.03031415
Charge
0
InChI
InChI=1S/C4H9NO3S/c5-3-1-9(7,8)2-4(3)6/h3-4,6H,1-2,5H2
InChIKey
REXPOWCRPFUCHS-UHFFFAOYSA-N
Canonic Smiles
OC1CS(=O)(=O)CC1N
Isomeric Smiles
S1(=O)(=O)CC(C(C1)O)N
Calculated Properties
JChem
Acid pKa
13.727935
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-4.9736257
LogD (pH = 7.4)
-3.2827282
Log P
-2.53567
Molar Refractivity
31.1533
Polarizability
13.809558
Polar Surface Area
80.39
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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