Molecule

ID:11702

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁FO₃
Molecular Mass
234.2230432
Exact Mass
234.06922243
Charge
0
InChI
InChI=1S/C13H11FO3/c14-9-3-1-8(2-4-9)10-5-6-12(15)11(10)7-13(16)17/h1-4H,5-7H2,(H,16,17)
InChIKey
FWUKGENQDVFUBS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1=C(CCC1=O)c1ccc(cc1)F
Isomeric Smiles
C1(=C(CCC1=O)c1ccc(cc1)F)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.978864
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6901426
LogD (pH = 7.4)
-0.9511404
Log P
2.219927
Molar Refractivity
59.9566
Polarizability
22.619455
Polar Surface Area
54.37
Rotatable Bonds
3
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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