Molecule

ID:76762

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₄S
Molecular Mass
239.24776
Exact Mass
239.02522877
Charge
0
InChI
InChI=1S/C10H9NO4S/c1-7(12)6-11-10(13)8-4-2-3-5-9(8)16(11,14)15/h2-5H,6H2,1H3
InChIKey
FIKYUYWVOVLHRS-UHFFFAOYSA-N
Canonic Smiles
CC(=O)CN1C(=O)c2c(S1(=O)=O)cccc2
Isomeric Smiles
O=S1(=O)c2c(cccc2)C(=O)N1CC(=O)C
Calculated Properties
JChem
Acid pKa
18.31427
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.4800984
LogD (pH = 7.4)
0.4800984
Log P
0.4800984
Molar Refractivity
56.9267
Polarizability
22.27683
Polar Surface Area
71.52
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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