Molecule

ID:94199

General Information
Structure
MolImage
Molecular Formula
C₇H₅F₃
Molecular Mass
146.1098096
Exact Mass
146.03433482
Charge
0
InChI
InChI=1S/C7H5F3/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,1H3
InChIKey
ZGEAYXBIJAYBKA-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(cc1C)F
Isomeric Smiles
Fc1c(cc(c(c1)F)F)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.914773
LogD (pH = 7.4)
2.914773
Log P
2.914773
Molar Refractivity
31.7484
Polarizability
11.332939
Polar Surface Area
0.0
Rotatable Bonds
0
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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