Molecule

ID:66072

General Information
Structure
Molecular Formula
C₈H₆F₄
Molecular Mass
178.1268528
Exact Mass
178.04056307
Charge
0
InChI
InChI=1S/C8H6F4/c1-5-2-3-6(4-7(5)9)8(10,11)12/h2-4H,1H3
InChIKey
MOTVIUSOANTTID-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1F)C(F)(F)F
Isomeric Smiles
C(c1cc(c(cc1)C)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5072176
LogD (pH = 7.4)
3.5072176
Log P
3.5072176
Molar Refractivity
37.2893
Polarizability
13.102891
Polar Surface Area
0.0
Rotatable Bonds
1
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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