Molecule

ID:55675

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClNO₂S
Molecular Mass
211.70956
Exact Mass
211.04337737
Charge
0
InChI
InChI=1S/C7H13NO2S.ClH/c1-7(2)5(6(9)10-3)8-4-11-7;/h5,8H,4H2,1-3H3;1H
InChIKey
QECZGSADOSWQSO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1NCSC1(C)C.Cl
Isomeric Smiles
C1(C(=O)OC)C(SCN1)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.40626353
LogD (pH = 7.4)
0.55243784
Log P
0.5546597
Molar Refractivity
44.5946
Polarizability
18.271143
Polar Surface Area
38.33
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