Molecule

ID:64484

General Information
Structure
Molecular Formula
C₆H₇NO₂S
Molecular Mass
157.19028
Exact Mass
157.01974947
Charge
0
InChI
InChI=1S/C6H7NO2S/c1-4-5(6(8)9-2)7-3-10-4/h3H,1-2H3
InChIKey
FFDBALRFBPEJBH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ncsc1C
Isomeric Smiles
c1(ncsc1C)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4672198
LogD (pH = 7.4)
1.4672266
Log P
1.4672267
Molar Refractivity
37.976
Polarizability
14.404209
Polar Surface Area
39.19
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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