Molecule

ID:8604

General Information
Structure
Molecular Formula
C₉H₉FO₂
Molecular Mass
168.1649632
Exact Mass
168.05865775
Charge
0
InChI
InChI=1S/C9H9FO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
InChIKey
SMMIKBXLEWTSJD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cccc(c1)F
Isomeric Smiles
c1cc(cc(c1)C(=O)OCC)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4762328
LogD (pH = 7.4)
2.4762328
Log P
2.4762328
Molar Refractivity
43.0483
Polarizability
16.287544
Polar Surface Area
26.3
Rotatable Bonds
3
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
References
Bioactivity
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