Molecule

ID:68020

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(8)5-3-7-4-10-5/h3-4H,2H2,1H3
InChIKey
CIPMPQGRFNDLAP-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cncs1
Isomeric Smiles
s1cncc1C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1247617
LogD (pH = 7.4)
1.1247629
Log P
1.1247629
Molar Refractivity
37.8244
Polarizability
14.482059
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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