Molecule

ID:97752

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆FNO₂
Molecular Mass
191.1585432
Exact Mass
191.03825666
Charge
0
InChI
InChI=1S/C10H6FNO2/c11-8-2-1-6-3-7(10(13)14)5-12-9(6)4-8/h1-5H,(H,13,14)
InChIKey
PXJCGANFXZBADU-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)ncc(c2)C(=O)O
Isomeric Smiles
n1cc(cc2ccc(cc12)F)C(=O)O
Calculated Properties
JChem
Acid pKa
3.806568
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.17777146
LogD (pH = 7.4)
-1.3542781
Log P
1.7685685
Molar Refractivity
47.4519
Polarizability
18.938063
Polar Surface Area
50.19
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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