Molecule

ID:28554

General Information
Structure
Molecular Formula
C₁₂H₁₀FNO₄
Molecular Mass
251.2105032
Exact Mass
251.05938603
Charge
0
InChI
InChI=1S/C12H10FNO4/c1-7-10(11(12(15)16)14-18-7)6-17-9-4-2-3-8(13)5-9/h2-5H,6H2,1H3,(H,15,16)
InChIKey
NMHQPJCBOQTBGN-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)OCc1c(C)onc1C(=O)O
Isomeric Smiles
c1(c(c(on1)C)COc1cc(F)ccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.8695574
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.6552385
LogD (pH = 7.4)
-0.9387636
Log P
2.2902896
Molar Refractivity
60.8261
Polarizability
22.372877
Polar Surface Area
72.56
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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