Molecule

ID:117990

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃FO₃
Molecular Mass
260.2603232
Exact Mass
260.0848725
Charge
0
InChI
InChI=1S/C15H13FO3/c16-12-5-7-13(8-6-12)19-14-3-1-2-11(10-14)4-9-15(17)18/h1-3,5-8,10H,4,9H2,(H,17,18)
InChIKey
VGIQSBXUZNYHGV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCc1cccc(c1)Oc1ccc(cc1)F
Isomeric Smiles
C(=O)(CCc1cc(Oc2ccc(F)cc2)ccc1)O
Calculated Properties
JChem
Acid pKa
3.7439191
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9421786
LogD (pH = 7.4)
0.41130963
Log P
3.698552
Molar Refractivity
68.4238
Polarizability
26.362972
Polar Surface Area
46.53
Rotatable Bonds
5
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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