Molecule

ID:30039

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂ClNO₂S
Molecular Mass
185.67228
Exact Mass
185.02772731
Charge
0
InChI
InChI=1S/C5H11NO2S.ClH/c1-6-5-2-3-9(7,8)4-5;/h5-6H,2-4H2,1H3;1H
InChIKey
VCMVJUKSMDLDPE-UHFFFAOYSA-N
Canonic Smiles
CNC1CCS(=O)(=O)C1.Cl
Isomeric Smiles
S1(=O)(=O)CC(CC1)NC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.304271
LogD (pH = 7.4)
-2.6798174
Log P
-1.4127948
Molar Refractivity
35.2444
Polarizability
14.948934
Polar Surface Area
46.17
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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