Molecule

ID:134690

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NO₂S
Molecular Mass
150.20399484
Exact Mass
150.05440444
Charge
0
InChI
InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1/i1+1
InChIKey
FFEARJCKVFRZRR-GBXCHUEOSA-N
Canonic Smiles
[13CH3]SCC[C@H](C(=O)O)N
Isomeric Smiles
[13CH3]SCC[C@H](C(=O)O)N
Calculated Properties
JChem
Acid pKa
2.531921
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.1895034
LogD (pH = 7.4)
-2.1923122
Log P
-2.1893265
Molar Refractivity
37.586
Polarizability
15.069385
Polar Surface Area
63.32
Rotatable Bonds
4
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
Molecule Details
References
Bioactivity
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