Molecule

ID:59502

General Information
Structure
MolImage
Molecular Formula
C₆H₇NO₂S
Molecular Mass
157.19028
Exact Mass
157.01974947
Charge
0
InChI
InChI=1S/C6H7NO2S/c1-2-9-6-7-3-5(4-8)10-6/h3-4H,2H2,1H3
InChIKey
OMUBNKUNEFRWQE-UHFFFAOYSA-N
Canonic Smiles
CCOc1ncc(s1)C=O
Isomeric Smiles
c1(ncc(s1)C=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.360367
LogD (pH = 7.4)
1.3603671
Log P
1.3603671
Molar Refractivity
38.3196
Polarizability
14.482014
Polar Surface Area
39.19
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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