Molecule

ID:24763

General Information
Structure
MolImage
Molecular Formula
C₈H₆F₂O₂
Molecular Mass
172.1288464
Exact Mass
172.03358587
Charge
0
InChI
InChI=1S/C8H6F2O2/c9-8(10)12-7-4-2-1-3-6(7)5-11/h1-5,8H
InChIKey
QPBNHDFPMRENBC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1OC(F)F
Isomeric Smiles
O(c1c(C=O)cccc1)C(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4548352
LogD (pH = 7.4)
2.4548352
Log P
2.4548352
Molar Refractivity
39.1141
Polarizability
14.33419
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation