Molecule

ID:125021

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClNO₂S
Molecular Mass
211.70956
Exact Mass
211.04337737
Charge
0
InChI
InChI=1S/C7H14ClNO2S/c1-9(12(8,10)11)7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKey
RQDWFSSEDVWNMI-UHFFFAOYSA-N
Canonic Smiles
CN(S(=O)(=O)Cl)C1CCCCC1
Isomeric Smiles
S(=O)(=O)(N(C1CCCCC1)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.595591
LogD (pH = 7.4)
1.595591
Log P
1.595591
Molar Refractivity
49.6855
Polarizability
20.18417
Polar Surface Area
37.38
Rotatable Bonds
1
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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