Molecule

ID:70066

General Information
Structure
MolImage
Molecular Formula
C₈H₇FO₂
Molecular Mass
154.1383832
Exact Mass
154.04300768
Charge
0
InChI
InChI=1S/C8H7FO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3
InChIKey
YXZNVLYXBIIIOB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)F
Isomeric Smiles
C(=O)(c1cc(ccc1)F)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1194248
LogD (pH = 7.4)
2.1194248
Log P
2.1194248
Molar Refractivity
38.2997
Polarizability
14.462786
Polar Surface Area
26.3
Rotatable Bonds
2
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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