Molecule

ID:70171

General Information
Structure
MolImage
Molecular Formula
C₉H₉FO₂
Molecular Mass
168.1649632
Exact Mass
168.05865775
Charge
0
InChI
InChI=1S/C9H9FO2/c1-6-3-4-7(10)5-8(6)9(11)12-2/h3-5H,1-2H3
InChIKey
VXFMZNALKZLCBN-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1C(=O)OC)F
Isomeric Smiles
C(=O)(c1c(ccc(c1)F)C)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.632846
LogD (pH = 7.4)
2.632846
Log P
2.632846
Molar Refractivity
43.3409
Polarizability
16.215609
Polar Surface Area
26.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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