Molecule

ID:7417

General Information
Structure
MolImage
Molecular Formula
C₈H₄F₄O
Molecular Mass
192.1103728
Exact Mass
192.01982763
Charge
0
InChI
InChI=1S/C8H4F4O/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-4H
InChIKey
ZVIQXFUBNNGOJY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)F)C(F)(F)F
Isomeric Smiles
c1c(c(cc(c1)C=O)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7062986
LogD (pH = 7.4)
2.7062986
Log P
2.7062986
Molar Refractivity
38.8321
Polarizability
13.383063
Polar Surface Area
17.07
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
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Molecule Details
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References
Bioactivity
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