Molecule

ID:95296

General Information
Structure
MolImage
Molecular Formula
C₈H₆F₂O₂
Molecular Mass
172.1288464
Exact Mass
172.03358587
Charge
0
InChI
InChI=1S/C8H6F2O2/c1-5(11)12-8-3-2-6(9)4-7(8)10/h2-4H,1H3
InChIKey
SJMMFGNAJFFWNL-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1ccc(cc1F)F
Isomeric Smiles
O(c1ccc(cc1F)F)C(=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8659106
LogD (pH = 7.4)
1.8659106
Log P
1.8659106
Molar Refractivity
37.6232
Polarizability
14.285048
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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