Molecule

ID:95250

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁FO₃
Molecular Mass
270.2551432
Exact Mass
270.06922243
Charge
0
InChI
InChI=1S/C16H11FO3/c17-13-5-3-12(4-6-13)14(18)7-1-11-2-8-15-16(9-11)20-10-19-15/h1-9H,10H2
InChIKey
HDSDUHZGXYSYKW-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)/C=C/c1ccc2c(c1)OCO2
Isomeric Smiles
O1c2c(ccc(c2)/C=C/C(=O)c2ccc(cc2)F)OC1
Calculated Properties
JChem
Acid pKa
16.950262
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.6562607
LogD (pH = 7.4)
3.6562607
Log P
3.6562607
Molar Refractivity
72.8603
Polarizability
27.45815
Polar Surface Area
35.53
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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