Molecule

ID:102438

General Information
Structure
Molecular Formula
C₅H₁₁NO₂S
Molecular Mass
149.21134
Exact Mass
149.0510496
Charge
0
InChI
InChI=1S/C5H11NO2S/c1-2-9-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKey
ULXKXLZEOGLCRJ-BYPYZUCNSA-N
Canonic Smiles
CCSC[C@@H](C(=O)O)N
Isomeric Smiles
CCSC[C@H](N)C(=O)O
Calculated Properties
JChem
Acid pKa
2.538969
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.15146
LogD (pH = 7.4)
-2.15834
Log P
-2.1513925
Molar Refractivity
37.6724
Polarizability
15.070974
Polar Surface Area
63.32
Rotatable Bonds
4
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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