Molecule

ID:93380

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃FO₃
Molecular Mass
272.2710232
Exact Mass
272.0848725
Charge
0
InChI
InChI=1S/C16H13FO3/c1-19-13-8-4-11(5-9-13)15-16(20-15)14(18)10-2-6-12(17)7-3-10/h2-9,15-16H,1H3
InChIKey
UNNQMMDGVRPAJD-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C1OC1C(=O)c1ccc(cc1)F
Isomeric Smiles
O1C(C1c1ccc(cc1)OC)C(=O)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
16.020218
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.166474
LogD (pH = 7.4)
3.166474
Log P
3.166474
Molar Refractivity
71.6529
Polarizability
27.644236
Polar Surface Area
38.83
Rotatable Bonds
4
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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