Molecule

ID:7588

General Information
Structure
MolImage
Molecular Formula
C₉H₈ClF₃
Molecular Mass
208.6080296
Exact Mass
208.0266626
Charge
0
InChI
InChI=1S/C9H8ClF3/c1-6-2-3-8(9(11,12)13)4-7(6)5-10/h2-4H,5H2,1H3
InChIKey
ZUZJZUFMXLLABC-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(ccc1C)C(F)(F)F
Isomeric Smiles
c1(ccc(c(c1)CCl)C)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9517577
LogD (pH = 7.4)
3.9517577
Log P
3.9517577
Molar Refractivity
46.9398
Polarizability
16.94378
Polar Surface Area
0.0
Rotatable Bonds
2
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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