Molecule

ID:29984

General Information
Structure
MolImage
Molecular Formula
C₈H₆F₄
Molecular Mass
178.1268528
Exact Mass
178.04056307
Charge
0
InChI
InChI=1S/C8H6F4/c9-7-3-1-2-6(4-7)5-8(10,11)12/h1-4H,5H2
InChIKey
XEMUQSFXYQZZSO-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)CC(F)(F)F
Isomeric Smiles
c1(cc(ccc1)CC(F)(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.2640994
LogD (pH = 7.4)
3.2640994
Log P
3.2640994
Molar Refractivity
36.6999
Polarizability
13.109897
Polar Surface Area
0.0
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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