Molecule

ID:32113

General Information
Structure
Molecular Formula
C₉H₆F₆
Molecular Mass
228.1343592
Exact Mass
228.03736951
Charge
0
InChI
InChI=1S/C9H6F6/c1-8(11,12)7-5(9(13,14)15)3-2-4-6(7)10/h2-4H,1H3
InChIKey
MFIPTYOZLIFZFD-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1C(F)(F)C)C(F)(F)F
Isomeric Smiles
c1c(c(c(cc1)F)C(F)(F)C)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6309469
LogD (pH = 7.4)
3.6309469
Log P
3.6309469
Molar Refractivity
42.3539
Polarizability
14.883873
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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