Molecule

ID:61322

General Information
Structure
Molecular Formula
C₁₅H₉FO₃
Molecular Mass
256.2285632
Exact Mass
256.05357237
Charge
0
InChI
InChI=1S/C15H9FO3/c16-12-4-2-1-3-9(12)7-14-15(18)11-6-5-10(17)8-13(11)19-14/h1-8,17H/b14-7-
InChIKey
PODGEZBGTVIQRN-AUWJEWJLSA-N
Canonic Smiles
Oc1ccc2c(c1)O/C(=C\c1ccccc1F)/C2=O
Isomeric Smiles
C\1(=C\c2c(F)cccc2)/C(=O)c2c(O1)cc(cc2)O
Calculated Properties
JChem
Acid pKa
7.6519365
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.0383825
LogD (pH = 7.4)
2.8500524
Log P
3.041411
Molar Refractivity
69.2436
Polarizability
25.550804
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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