Molecule

ID:31270

General Information
Structure
Molecular Formula
C₁₄H₁₁FO₃
Molecular Mass
246.2337432
Exact Mass
246.06922243
Charge
0
InChI
InChI=1S/C14H11FO3/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17/h1-8H,9H2,(H,16,17)
InChIKey
PKWADBDVMROXJB-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1COc1ccc(cc1)C(=O)O
Isomeric Smiles
C(=O)(c1ccc(OCc2c(F)cccc2)cc1)O
Calculated Properties
JChem
Acid pKa
4.35618
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1681786
LogD (pH = 7.4)
0.41894302
Log P
3.3403325
Molar Refractivity
64.6064
Polarizability
24.444017
Polar Surface Area
46.53
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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