Molecule

ID:70837

General Information
Structure
MolImage
Molecular Formula
C₆H₇NO₂S
Molecular Mass
157.19028
Exact Mass
157.01974947
Charge
0
InChI
InChI=1S/C6H7NO2S/c1-4-3-7-5(10-4)6(8)9-2/h3H,1-2H3
InChIKey
RYIXYFPZODBRMO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ncc(s1)C
Isomeric Smiles
s1c(ncc1C)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4589192
LogD (pH = 7.4)
1.4589212
Log P
1.4589213
Molar Refractivity
37.8252
Polarizability
14.411317
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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