Molecule

ID:37862

General Information
Structure
Molecular Formula
C₁₅H₁₃FO₂
Molecular Mass
244.2609232
Exact Mass
244.08995788
Charge
0
InChI
InChI=1S/C15H13FO2/c16-14-9-5-4-8-12(14)13(10-15(17)18)11-6-2-1-3-7-11/h1-9,13H,10H2,(H,17,18)
InChIKey
VXCPNMWDGXASRW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC(c1ccccc1F)c1ccccc1
Isomeric Smiles
c1cccc(c1F)C(c1ccccc1)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.353849
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4447682
LogD (pH = 7.4)
0.6959447
Log P
3.6190877
Molar Refractivity
66.8266
Polarizability
25.607294
Polar Surface Area
37.3
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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