Molecule

ID:37304

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅FO₄
Molecular Mass
290.2863032
Exact Mass
290.09543718
Charge
0
InChI
InChI=1S/C16H15FO4/c1-2-20-15-9-11(16(18)19)7-8-14(15)21-10-12-5-3-4-6-13(12)17/h3-9H,2,10H2,1H3,(H,18,19)
InChIKey
PIJGLCWNTUMLSO-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(ccc1OCc1ccccc1F)C(=O)O
Isomeric Smiles
c1cc(cc(c1OCc1ccccc1F)OCC)C(=O)O
Calculated Properties
JChem
Acid pKa
4.131917
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.1561503
LogD (pH = 7.4)
0.4608644
Log P
3.5394692
Molar Refractivity
75.8182
Polarizability
28.821207
Polar Surface Area
55.76
Rotatable Bonds
6
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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