Molecule

ID:34485

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClNO₂S
Molecular Mass
211.70956
Exact Mass
211.04337737
Charge
0
InChI
InChI=1S/C7H14ClNO2S/c1-6-3-7(2)5-9(4-6)12(8,10)11/h6-7H,3-5H2,1-2H3
InChIKey
RPGSVLHMPDNRFE-UHFFFAOYSA-N
Canonic Smiles
CC1CC(C)CN(C1)S(=O)(=O)Cl
Isomeric Smiles
C1C(CC(CN1S(=O)(=O)Cl)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3766322
LogD (pH = 7.4)
1.3766322
Log P
1.3766322
Molar Refractivity
49.7565
Polarizability
20.184177
Polar Surface Area
37.38
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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