Molecule

ID:115272

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈FNO₃
Molecular Mass
221.1845232
Exact Mass
221.04882134
Charge
0
InChI
InChI=1S/C11H8FNO3/c12-8-3-1-7(2-4-8)10-5-9(13-16-10)6-11(14)15/h1-5H,6H2,(H,14,15)
InChIKey
ZVHVHPPPJAWTRL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1noc(c1)c1ccc(cc1)F
Isomeric Smiles
c1(cc(no1)CC(=O)O)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
4.139828
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.69549483
LogD (pH = 7.4)
-1.0021855
Log P
2.0713181
Molar Refractivity
53.6657
Polarizability
21.165106
Polar Surface Area
63.33
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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