Molecule

ID:124102

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈FNO₃S
Molecular Mass
253.2495232
Exact Mass
253.02089234
Charge
0
InChI
InChI=1S/C11H8FNO3S/c1-6-9(10(14)15)17-11(13-6)16-8-5-3-2-4-7(8)12/h2-5H,1H3,(H,14,15)
InChIKey
YISGZROOGUBHCA-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1Oc1nc(c(s1)C(=O)O)C
Isomeric Smiles
c1(sc(nc1C)Oc1c(F)cccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.0627997
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.4756434
LogD (pH = 7.4)
-0.58597684
Log P
2.8806703
Molar Refractivity
58.8287
Polarizability
22.402002
Polar Surface Area
59.42
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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