Molecule

ID:97251

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁FO₂
Molecular Mass
230.2343432
Exact Mass
230.07430781
Charge
0
InChI
InChI=1S/C14H11FO2/c1-10(16)11-2-6-13(7-3-11)17-14-8-4-12(15)5-9-14/h2-9H,1H3
InChIKey
HPLGELQKWAOYKR-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)Oc1ccc(cc1)C(=O)C
Isomeric Smiles
Fc1ccc(cc1)Oc1ccc(cc1)C(=O)C
Calculated Properties
JChem
Acid pKa
16.207983
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1738825
LogD (pH = 7.4)
3.1738825
Log P
3.1738825
Molar Refractivity
62.918
Polarizability
24.041563
Polar Surface Area
26.3
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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