Molecule

ID:99082

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁FO₂
Molecular Mass
242.2450432
Exact Mass
242.07430781
Charge
0
InChI
InChI=1S/C15H11FO2/c16-12-7-9-15(18)13(10-12)14(17)8-6-11-4-2-1-3-5-11/h1-10,18H
InChIKey
FYCMOVNYZGSAEB-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C(=O)/C=C/c1ccccc1)O
Isomeric Smiles
O=C(c1cc(ccc1O)F)/C=C/c1ccccc1
Calculated Properties
JChem
Acid pKa
7.9224424
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.377835
LogD (pH = 7.4)
4.2663465
Log P
4.379462
Molar Refractivity
69.0743
Polarizability
25.58499
Polar Surface Area
37.3
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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