Molecule

ID:122555

General Information
Structure
MolImage
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/t3-,4+/m0/s1
InChIKey
REXPOWCRPFUCHS-IUYQGCFVSA-N
Canonic Smiles
O[C@@H]1CS(=O)(=O)C[C@@H]1N
Isomeric Smiles
S1(=O)(=O)C[C@@H]([C@@H](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
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation