Molecule

ID:44232

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃FO₃
Molecular Mass
272.2710232
Exact Mass
272.0848725
Charge
0
InChI
InChI=1S/C16H13FO3/c17-14-6-1-13(2-7-14)11-20-15-8-3-12(4-9-15)5-10-16(18)19/h1-10H,11H2,(H,18,19)/b10-5+
InChIKey
KOLALLMUHXRTGD-BJMVGYQFSA-N
Canonic Smiles
OC(=O)/C=C/c1ccc(cc1)OCc1ccc(cc1)F
Isomeric Smiles
C(=O)(/C=C/c1ccc(OCc2ccc(F)cc2)cc1)O
Calculated Properties
JChem
Acid pKa
3.9797702
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.3166764
LogD (pH = 7.4)
0.67503184
Log P
3.84559
Molar Refractivity
74.3521
Polarizability
27.96304
Polar Surface Area
46.53
Rotatable Bonds
5
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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