Molecule

ID:69692

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆FNO₃
Molecular Mass
207.1579432
Exact Mass
207.03317128
Charge
0
InChI
InChI=1S/C10H6FNO3/c11-5-1-2-8-6(3-5)9(13)7(4-12-8)10(14)15/h1-4H,(H,12,13)(H,14,15)
InChIKey
KCEJQAATYWQMMQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)c(O)c(cn2)C(=O)O
Isomeric Smiles
n1cc(c(c2cc(ccc12)F)O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.51858
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.2720007
LogD (pH = 7.4)
-1.1019435
Log P
2.27762
Molar Refractivity
49.4328
Polarizability
19.586666
Polar Surface Area
70.42
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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