Molecule

ID:12455

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NO₃S
Molecular Mass
165.21074
Exact Mass
165.04596422
Charge
0
InChI
InChI=1S/C5H11NO3S/c1-6-4-2-10(8,9)3-5(4)7/h4-7H,2-3H2,1H3
InChIKey
AZDGOTPNJUNJNK-UHFFFAOYSA-N
Canonic Smiles
CNC1CS(=O)(=O)CC1O
Isomeric Smiles
C1(C(CS(=O)(=O)C1)O)NC
Calculated Properties
JChem
Acid pKa
13.7211895
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-4.6313596
LogD (pH = 7.4)
-2.8977642
Log P
-2.1030896
Molar Refractivity
35.9279
Polarizability
15.625849
Polar Surface Area
66.4
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
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Molecule Details
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References
Bioactivity
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