Molecule
ID:124649
General Information
Molecular Formula
C₁₀H₆FNO₃
Molecular Mass
207.1579432
Exact Mass
207.03317128
Charge
0
InChI
InChI=1S/C10H6FNO3/c11-7-3-1-6(2-4-7)9-8(10(13)14)5-12-15-9/h1-5H,(H,13,14)
InChIKey
FFZWHPBPXYQOSJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cnoc1c1ccc(cc1)F
Isomeric Smiles
c1(c(onc1)c1ccc(cc1)F)C(=O)O
Calculated Properties
JChem
Acid pKa
4.1319556
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.32199255
LogD (pH = 7.4)
-1.3732954
Log P
1.7053026
Molar Refractivity
49.9863
Polarizability
19.329142
Polar Surface Area
63.33
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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