Molecule

ID:96208

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₃FO₂
Molecular Mass
268.2823232
Exact Mass
268.08995788
Charge
0
InChI
InChI=1S/C17H13FO2/c18-13-7-5-12(6-8-13)16-17(20-16)10-9-11-3-1-2-4-14(11)15(17)19/h1-8,16H,9-10H2
InChIKey
AOJSZYRQBJDUAE-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C1OC21CCc1c(C2=O)cccc1
Isomeric Smiles
O1C2(C1c1ccc(cc1)F)C(=O)c1ccccc1CC2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8845603
LogD (pH = 7.4)
3.8845603
Log P
3.8845603
Molar Refractivity
73.065
Polarizability
28.060669
Polar Surface Area
29.6
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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