Molecule

ID:29972

General Information
Structure
MolImage
Molecular Formula
C₉H₈ClF₃
Molecular Mass
208.6080296
Exact Mass
208.0266626
Charge
0
InChI
InChI=1S/C9H8ClF3/c10-8-3-1-2-7(6-8)4-5-9(11,12)13/h1-3,6H,4-5H2
InChIKey
AFGFEFLFOJZWJE-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)CCC(F)(F)F
Isomeric Smiles
c1(cc(ccc1)CCC(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.1700106
LogD (pH = 7.4)
4.1700106
Log P
4.1700106
Molar Refractivity
45.8893
Polarizability
17.000515
Polar Surface Area
0.0
Rotatable Bonds
3
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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