Molecule

ID:99073

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁FO₂
Molecular Mass
254.2557432
Exact Mass
254.07430781
Charge
0
InChI
InChI=1S/C16H11FO2/c1-10-13-9-12(17)7-8-14(13)19-16(18)15(10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
YDMJHHMAJSWOMC-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)c(C)c(c(=O)o2)c1ccccc1
Isomeric Smiles
o1c(=O)c(c(c2c1ccc(c2)F)C)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.893544
LogD (pH = 7.4)
3.893544
Log P
3.893544
Molar Refractivity
70.4991
Polarizability
26.845324
Polar Surface Area
26.3
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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