Molecule

ID:22320

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂S
Molecular Mass
207.24896
Exact Mass
207.03539953
Charge
0
InChI
InChI=1S/C10H9NO2S/c1-2-13-10(12)9-11-7-5-3-4-6-8(7)14-9/h3-6H,2H2,1H3
InChIKey
VLQLCEXNNGQELL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nc2c(s1)cccc2
Isomeric Smiles
c1(nc2c(s1)cccc2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6513014
LogD (pH = 7.4)
2.6513016
Log P
2.6513016
Molar Refractivity
53.3798
Polarizability
21.915144
Polar Surface Area
39.19
Rotatable Bonds
3
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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