Molecule

ID:99358

General Information
Structure
MolImage
Molecular Formula
C₉H₅F₅
Molecular Mass
208.128016
Exact Mass
208.03114126
Charge
0
InChI
InChI=1S/C9H5F5/c1-2-5-3-4-6(9(12,13)14)8(11)7(5)10/h2-4H,1H2
InChIKey
YZHLHNQKRMOLOE-UHFFFAOYSA-N
Canonic Smiles
C=Cc1ccc(c(c1F)F)C(F)(F)F
Isomeric Smiles
FC(c1c(c(c(cc1)C=C)F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8732002
LogD (pH = 7.4)
3.8732002
Log P
3.8732002
Molar Refractivity
42.1508
Polarizability
14.6687565
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
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Molecule Details
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References
Bioactivity
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