Molecule

ID:12290

General Information
Structure
Molecular Formula
C₁₀H₈FNO₄S
Molecular Mass
257.2382232
Exact Mass
257.01580696
Charge
0
InChI
InChI=1S/C10H8FNO4S/c1-17(15,16)8-4-6(11)2-5-3-7(10(13)14)12-9(5)8/h2-4,12H,1H3,(H,13,14)
InChIKey
WNCWFIMFLBFIRS-UHFFFAOYSA-N
Canonic Smiles
Fc1cc2cc([nH]c2c(c1)S(=O)(=O)C)C(=O)O
Isomeric Smiles
[nH]1c(cc2cc(cc(c12)S(=O)(=O)C)F)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5636444
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.2977805
LogD (pH = 7.4)
-2.7220273
Log P
0.63260233
Molar Refractivity
58.4982
Polarizability
23.63071
Polar Surface Area
87.23
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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