Molecule

ID:100063

General Information
Structure
MolImage
Molecular Formula
C₈H₇FO₂
Molecular Mass
154.1383832
Exact Mass
154.04300768
Charge
0
InChI
InChI=1S/C8H7FO2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-5H,1H3
InChIKey
PTKRQIRPNNIORO-UHFFFAOYSA-N
Canonic Smiles
COc1cc(F)ccc1C=O
Isomeric Smiles
O=Cc1c(cc(cc1)F)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6707789
LogD (pH = 7.4)
1.6707789
Log P
1.6707789
Molar Refractivity
39.3216
Polarizability
14.457015
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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