Molecule

ID:85153

General Information
Structure
Molecular Formula
C₇H₁₅NO₂S₂
Molecular Mass
209.3295
Exact Mass
209.05442073
Charge
0
InChI
InChI=1S/C7H15NO2S2/c1-7(2,3)12-8-5(4-11)6(9)10/h5,8,11H,4H2,1-3H3,(H,9,10)
InChIKey
AZLKLYCSUAIZIQ-UHFFFAOYSA-N
Canonic Smiles
SCC(C(=O)O)NSC(C)(C)C
Isomeric Smiles
N(C(C(=O)O)CS)SC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.1628299
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.116118364
LogD (pH = 7.4)
-1.2940379
Log P
0.25669393
Molar Refractivity
65.2122
Polarizability
21.785608
Polar Surface Area
49.33
Rotatable Bonds
5
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