Molecule

ID:32006

General Information
Structure
MolImage
Molecular Formula
C₈H₂ClF₇
Molecular Mass
266.5433024
Exact Mass
265.97332528
Charge
0
InChI
InChI=1S/C8H2ClF7/c9-4-2-1-3(7(11,12)13)5(6(4)10)8(14,15)16/h1-2H
InChIKey
RSGXVUJZLLOLMX-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1F)C(F)(F)F)C(F)(F)F
Isomeric Smiles
c1(c(c(c(cc1)C(F)(F)F)C(F)(F)F)F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.4756894
LogD (pH = 7.4)
4.4756894
Log P
4.4756894
Molar Refractivity
43.0266
Polarizability
15.260029
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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