Molecule
ID:57462
General Information
Molecular Formula
C₁₀H₈FNO₃
Molecular Mass
209.1738232
Exact Mass
209.04882134
Charge
0
InChI
InChI=1S/C10H8FNO3/c11-5-1-2-8-6(3-5)7(4-9(13)14)10(15)12-8/h1-3,7H,4H2,(H,12,15)(H,13,14)
InChIKey
GOJAJUSLXBXIJY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1C(=O)Nc2c1cc(F)cc2
Isomeric Smiles
c1c(cc2c(c1)NC(=O)C2CC(=O)O)F
Calculated Properties
JChem
Acid pKa
3.6542873
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.9608954
LogD (pH = 7.4)
-2.441251
Log P
0.8820653
Molar Refractivity
50.6422
Polarizability
18.494473
Polar Surface Area
66.4
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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