Molecule

ID:115658

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀FNO₃
Molecular Mass
247.2218032
Exact Mass
247.06447141
Charge
0
InChI
InChI=1S/C13H10FNO3/c14-10-4-1-3-9(7-10)8-15-6-2-5-11(12(15)16)13(17)18/h1-7H,8H2,(H,17,18)
InChIKey
YSFIOBPLMUNQEI-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)Cn1cccc(c1=O)C(=O)O
Isomeric Smiles
c1(c(=O)n(Cc2cc(F)ccc2)ccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.8355794
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.027116407
LogD (pH = 7.4)
-1.5507249
Log P
1.6949561
Molar Refractivity
63.8453
Polarizability
23.460217
Polar Surface Area
57.61
Rotatable Bonds
3
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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