Molecule

ID:97044

General Information
Structure
Molecular Formula
C₈H₇FO₂
Molecular Mass
154.1383832
Exact Mass
154.04300768
Charge
0
InChI
InChI=1S/C8H7FO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey
DGNAETGARNTCIL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(c1F)C
Isomeric Smiles
OC(=O)c1c(c(ccc1)C)F
Calculated Properties
JChem
Acid pKa
3.3176887
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.12089627
LogD (pH = 7.4)
-1.1353419
Log P
2.286952
Molar Refractivity
38.5718
Polarizability
14.157182
Polar Surface Area
37.3
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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