Molecule

ID:114615

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO₂S
Molecular Mass
163.23792
Exact Mass
163.06669966
Charge
0
InChI
InChI=1S/C6H13NO2S/c1-2-7-6-3-4-10(8,9)5-6/h6-7H,2-5H2,1H3
InChIKey
BNVNYCSJNTUPFM-UHFFFAOYSA-N
Canonic Smiles
CCNC1CCS(=O)(=O)C1
Isomeric Smiles
S1(=O)(=O)CC(CC1)NCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.9829798
LogD (pH = 7.4)
-2.3854218
Log P
-1.0559869
Molar Refractivity
39.993
Polarizability
16.779062
Polar Surface Area
46.17
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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