Molecule

ID:31269

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁FO₃
Molecular Mass
246.2337432
Exact Mass
246.06922243
Charge
0
InChI
InChI=1S/C14H11FO3/c15-12-5-1-3-10(7-12)9-18-13-6-2-4-11(8-13)14(16)17/h1-8H,9H2,(H,16,17)
InChIKey
PBEUDJJYJYWQOV-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)COc1cccc(c1)C(=O)O
Isomeric Smiles
C(=O)(c1cc(OCc2cc(F)ccc2)ccc1)O
Calculated Properties
JChem
Acid pKa
3.837304
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6741576
LogD (pH = 7.4)
0.09547956
Log P
3.3403325
Molar Refractivity
64.6064
Polarizability
24.444714
Polar Surface Area
46.53
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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