Molecule

ID:63566

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO₂S
Molecular Mass
163.23792
Exact Mass
163.06669966
Charge
0
InChI
InChI=1S/C6H13NO2S/c7-5-6-1-3-10(8,9)4-2-6/h6H,1-5,7H2
InChIKey
PYWSWTFWUWSPKT-UHFFFAOYSA-N
Canonic Smiles
NCC1CCS(=O)(=O)CC1
Isomeric Smiles
C1(CN)CCS(=O)(=O)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.3359656
LogD (pH = 7.4)
-3.6498923
Log P
-1.3248148
Molar Refractivity
40.5668
Polarizability
16.779062
Polar Surface Area
60.16
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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