Molecule

ID:9872

General Information
Structure
Molecular Formula
C₁₂H₈F₂
Molecular Mass
190.1887264
Exact Mass
190.0594067
Charge
0
InChI
InChI=1S/C12H8F2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
InChIKey
PZDAAZQDQJGXSW-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1ccc(cc1)F
Isomeric Smiles
c1(F)ccc(cc1)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.905875
LogD (pH = 7.4)
3.905875
Log P
3.905875
Molar Refractivity
51.627
Polarizability
20.564835
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
References
Bioactivity
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