Molecule

ID:7505

General Information
Structure
MolImage
Molecular Formula
C₈H₇FO₂
Molecular Mass
154.1383832
Exact Mass
154.04300768
Charge
0
InChI
InChI=1S/C8H7FO2/c1-11-7-3-2-6(5-10)8(9)4-7/h2-5H,1H3
InChIKey
UNWQNFJBBWXFBG-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)F)C=O
Isomeric Smiles
c1c(cc(c(c1)C=O)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
14.456616
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation