Molecule

ID:93379

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁FO₂
Molecular Mass
242.2450432
Exact Mass
242.07430781
Charge
0
InChI
InChI=1S/C15H11FO2/c16-12-8-6-10(7-9-12)13(17)15-14(18-15)11-4-2-1-3-5-11/h1-9,14-15H
InChIKey
XHUCGUZYMJDQMH-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)C1OC1c1ccccc1
Isomeric Smiles
O1C(C1c1ccccc1)C(=O)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
15.879798
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3241453
LogD (pH = 7.4)
3.3241453
Log P
3.3241453
Molar Refractivity
65.1897
Polarizability
25.11018
Polar Surface Area
29.6
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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