Molecule

ID:17100

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀FNO₂
Molecular Mass
207.2010032
Exact Mass
207.06955679
Charge
0
InChI
InChI=1S/C11H10FNO2/c1-2-7-8-5-6(12)3-4-9(8)13-10(7)11(14)15/h3-5,13H,2H2,1H3,(H,14,15)
InChIKey
MQEQTBNFWHGSRJ-UHFFFAOYSA-N
Canonic Smiles
CCc1c([nH]c2c1cc(F)cc2)C(=O)O
Isomeric Smiles
c12c([nH]c(c1CC)C(=O)O)ccc(c2)F
Calculated Properties
JChem
Acid pKa
3.4442875
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.70511746
LogD (pH = 7.4)
-0.6410043
Log P
2.7502837
Molar Refractivity
54.1368
Polarizability
21.133516
Polar Surface Area
53.09
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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