Molecule

ID:32031

General Information
Structure
MolImage
Molecular Formula
C₈H₅F₅
Molecular Mass
196.117316
Exact Mass
196.03114126
Charge
0
InChI
InChI=1S/C8H5F5/c1-4-2-3-5(8(11,12)13)7(10)6(4)9/h2-3H,1H3
InChIKey
FMCHYRFKNBELEA-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1F)F)C(F)(F)F
Isomeric Smiles
C(c1c(c(c(cc1)C)F)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6499195
LogD (pH = 7.4)
3.6499195
Log P
3.6499195
Molar Refractivity
37.5057
Polarizability
13.055943
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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