Molecule

ID:38131

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆ClNO₂S
Molecular Mass
213.72544
Exact Mass
213.05902744
Charge
0
InChI
InChI=1S/C7H15NO2S.ClH/c1-11(9,10)6-7-2-4-8-5-3-7;/h7-8H,2-6H2,1H3;1H
InChIKey
WFVLDWXGAGSFCJ-UHFFFAOYSA-N
Canonic Smiles
CS(=O)(=O)CC1CCNCC1.Cl
Isomeric Smiles
C1NCCC(C1)CS(=O)(=O)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.2698946
LogD (pH = 7.4)
-3.675771
Log P
-1.0444236
Molar Refractivity
45.4244
Polarizability
18.61201
Polar Surface Area
46.17
Rotatable Bonds
2
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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