Molecule

ID:34093

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀FNO₂
Molecular Mass
207.2010032
Exact Mass
207.06955679
Charge
0
InChI
InChI=1S/C11H10FNO2/c1-6-8-5-7(12)3-4-9(8)13(2)10(6)11(14)15/h3-5H,1-2H3,(H,14,15)
InChIKey
FCTGUFFMXLWGPP-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)c(C)c(n2C)C(=O)O
Isomeric Smiles
n1(c(c(c2c1ccc(c2)F)C)C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.237509
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.28740665
LogD (pH = 7.4)
-0.9092148
Log P
2.5293913
Molar Refractivity
54.4325
Polarizability
21.055439
Polar Surface Area
42.23
Rotatable Bonds
1
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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