Molecule

ID:41253

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀FNO₂
Molecular Mass
267.2545032
Exact Mass
267.06955679
Charge
0
InChI
InChI=1S/C16H10FNO2/c17-13-7-3-1-6-11(13)15-9-12(16(19)20)10-5-2-4-8-14(10)18-15/h1-9H,(H,19,20)
InChIKey
DKOMWOZFQXNJAQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1c1nc2ccccc2c(c1)C(=O)O
Isomeric Smiles
c1(nc2c(c(c1)C(=O)O)cccc2)c1c(F)cccc1
Calculated Properties
JChem
Acid pKa
3.5604722
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.0300417
LogD (pH = 7.4)
0.60757923
Log P
3.964261
Molar Refractivity
72.2161
Polarizability
29.889631
Polar Surface Area
50.19
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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