Molecule

ID:10955

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClNO₂S
Molecular Mass
211.70956
Exact Mass
211.04337737
Charge
0
InChI
InChI=1S/C7H13NO2S.ClH/c1-2-4-8-7-3-5-11(9,10)6-7;/h2,7-8H,1,3-6H2;1H
InChIKey
WKPLATIOZRZXOQ-UHFFFAOYSA-N
Canonic Smiles
C=CCNC1CCS(=O)(=O)C1.Cl
Isomeric Smiles
C1C(CS(=O)(=O)C1)NCC=C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.1455386
LogD (pH = 7.4)
-1.4114263
Log P
-0.681545
Molar Refractivity
44.4071
Polarizability
18.365984
Polar Surface Area
46.17
Rotatable Bonds
3
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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