Molecule

ID:59544

General Information
Structure
Molecular Formula
C₁₅H₉FO₃
Molecular Mass
256.2285632
Exact Mass
256.05357237
Charge
0
InChI
InChI=1S/C15H9FO3/c16-11-4-1-9(2-5-11)13-7-10-3-6-12(17)8-14(10)19-15(13)18/h1-8,17H
InChIKey
XXDAXGKPCUCYLG-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1cc2ccc(cc2oc1=O)O
Isomeric Smiles
c1(=O)c(cc2c(o1)cc(cc2)O)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
7.775904
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.2883039
LogD (pH = 7.4)
3.139197
Log P
3.290584
Molar Refractivity
68.198
Polarizability
25.631573
Polar Surface Area
46.53
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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