Molecule

ID:134689

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NO₂S
Molecular Mass
151.19740374
Exact Mass
151.05143933
Charge
0
InChI
InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i4+1,6+1
InChIKey
FFEARJCKVFRZRR-ZRXJCPJJSA-N
Canonic Smiles
CSCC[13C@@H](C(=O)O)[15NH2]
Isomeric Smiles
CSCC[13C@@H](C(=O)O)[15NH2]
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
No Data Available
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Molecule Details
References
Bioactivity
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