Molecule

ID:65403

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₃S
Molecular Mass
235.25906
Exact Mass
235.03031415
Charge
0
InChI
InChI=1S/C11H9NO3S/c1-2-15-11(14)9(13)10-12-7-5-3-4-6-8(7)16-10/h3-6H,2H2,1H3
InChIKey
XWOIZBDKZDPDQY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)c1nc2c(s1)cccc2
Isomeric Smiles
c1cc2c(cc1)sc(n2)C(=O)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7442935
LogD (pH = 7.4)
2.7442937
Log P
2.7442937
Molar Refractivity
58.3213
Polarizability
23.847471
Polar Surface Area
56.26
Rotatable Bonds
4
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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