Molecule

ID:115656

General Information
Structure
Molecular Formula
C₁₃H₁₀FNO₃
Molecular Mass
247.2218032
Exact Mass
247.06447141
Charge
0
InChI
InChI=1S/C13H10FNO3/c14-11-4-1-9(2-5-11)7-15-8-10(13(17)18)3-6-12(15)16/h1-6,8H,7H2,(H,17,18)
InChIKey
SCCIZPNWNADCEC-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)Cn1cc(ccc1=O)C(=O)O
Isomeric Smiles
c1(cn(c(=O)cc1)Cc1ccc(F)cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.417353
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.5282042
LogD (pH = 7.4)
-1.8556969
Log P
1.5427669
Molar Refractivity
63.7702
Polarizability
23.46023
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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