Molecule

ID:7041

General Information
Structure
Molecular Formula
C₉H₂ClF₉
Molecular Mass
316.5508088
Exact Mass
315.97013172
Charge
0
InChI
InChI=1S/C9H2ClF9/c10-6-4(8(14,15)16)1-3(7(11,12)13)2-5(6)9(17,18)19/h1-2H
InChIKey
OLWJWIMWBGMZJY-UHFFFAOYSA-N
Canonic Smiles
Clc1c(cc(cc1C(F)(F)F)C(F)(F)F)C(F)(F)F
Isomeric Smiles
c1c(cc(c(c1C(F)(F)F)Cl)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.210836
LogD (pH = 7.4)
5.210836
Log P
5.210836
Molar Refractivity
48.7839
Polarizability
17.12296
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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