Molecule

ID:90211

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClNO₂S
Molecular Mass
211.70956
Exact Mass
211.04337737
Charge
0
InChI
InChI=1S/C7H13NO2S.ClH/c1-2-10-7(9)6-5-11-4-3-8-6;/h6,8H,2-5H2,1H3;1H
InChIKey
QQRCEZBURAQLBQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CSCCN1.Cl
Isomeric Smiles
N1CCSCC1C(=O)OCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.022825565
LogD (pH = 7.4)
0.35452327
Log P
0.3609219
Molar Refractivity
45.4011
Polarizability
18.264845
Polar Surface Area
38.33
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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