Molecule

ID:67788

General Information
Structure
MolImage
Molecular Formula
C₆H₇NO₂S
Molecular Mass
157.19028
Exact Mass
157.01974947
Charge
0
InChI
InChI=1S/C6H7NO2S/c1-4-5(6(8)9-2)10-3-7-4/h3H,1-2H3
InChIKey
RRCLLMUIJYXSGZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1scnc1C
Isomeric Smiles
s1cnc(c1C(=O)OC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8993214
LogD (pH = 7.4)
0.8993251
Log P
0.89932513
Molar Refractivity
37.6673
Polarizability
14.40407
Polar Surface Area
39.19
Rotatable Bonds
2
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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