Molecule
ID:121616
General Information
Molecular Formula
C₅H₁₂ClNO₃S
Molecular Mass
201.67168
Exact Mass
201.02264193
Charge
0
InChI
InChI=1S/C5H11NO3S.ClH/c1-6-4-2-10(8,9)3-5(4)7;/h4-7H,2-3H2,1H3;1H
InChIKey
QPVXHDPZGACQHE-UHFFFAOYSA-N
Canonic Smiles
CNC1CS(=O)(=O)CC1O.Cl
Isomeric Smiles
S1(=O)(=O)CC(C(C1)O)NC.Cl
Calculated Properties
JChem
Acid pKa
13.7211895
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-4.6313596
LogD (pH = 7.4)
-2.8977642
Log P
-2.1030896
Molar Refractivity
35.9279
Polarizability
15.625849
Polar Surface Area
66.4
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...