Molecule

ID:53453

General Information
Structure
MolImage
Molecular Formula
C₉H₉FO₂
Molecular Mass
168.1649632
Exact Mass
168.05865775
Charge
0
InChI
InChI=1S/C9H9FO2/c1-12-9(11)6-7-3-2-4-8(10)5-7/h2-5H,6H2,1H3
InChIKey
OXYLCGRXCQARQV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1cccc(c1)F
Isomeric Smiles
C(=O)(Cc1cc(F)ccc1)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8995901
LogD (pH = 7.4)
1.8995901
Log P
1.8995901
Molar Refractivity
42.3511
Polarizability
16.312298
Polar Surface Area
26.3
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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