Molecule

ID:14528

General Information
Structure
Molecular Formula
C₆H₁₅ClN₂O₂S
Molecular Mass
214.7135
Exact Mass
214.05427641
Charge
0
InChI
InChI=1S/C6H14N2O2S.ClH/c7-3-6-11(9,10)8-4-1-2-5-8;/h1-7H2;1H
InChIKey
FSRSXSMTNVHNLS-UHFFFAOYSA-N
Canonic Smiles
NCCS(=O)(=O)N1CCCC1.Cl
Isomeric Smiles
N1(S(=O)(=O)CCN)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.0157685
LogD (pH = 7.4)
-2.409221
Log P
-1.3268945
Molar Refractivity
43.4749
Polarizability
17.934917
Polar Surface Area
63.4
Rotatable Bonds
2
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