Molecule

ID:16082

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)7(4-13)9(12-8)10(14)15/h1-4,12H,(H,14,15)
InChIKey
CIIBOABFLAUHGQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c([nH]c2c1cc(F)cc2)C(=O)O
Isomeric Smiles
c1(c(c2c([nH]1)ccc(c2)F)C=O)C(=O)O
Calculated Properties
JChem
Acid pKa
4.4930573
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.45840466
LogD (pH = 7.4)
-1.3088082
Log P
1.5047961
Molar Refractivity
51.0786
Polarizability
19.48649
Polar Surface Area
70.16
Rotatable Bonds
2
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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