Molecule

ID:16321

General Information
Structure
MolImage
Molecular Formula
C₆H₇NO₂S
Molecular Mass
157.19028
Exact Mass
157.01974947
Charge
0
InChI
InChI=1S/C6H7NO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,7H2,1H3
InChIKey
TWEQNZZOOFKOER-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sccc1N
Isomeric Smiles
c1(c(ccs1)N)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7106782
LogD (pH = 7.4)
1.7106782
Log P
1.7106782
Molar Refractivity
39.6736
Polarizability
14.621249
Polar Surface Area
52.32
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
No Data Available
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Molecule Details
References
Bioactivity
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