Molecule

ID:97223

General Information
Structure
MolImage
Molecular Formula
C₈H₂Cl₃F₅
Molecular Mass
299.452496
Exact Mass
297.9142242
Charge
0
InChI
InChI=1S/C8H2Cl3F5/c9-3-1-2(8(14,15)16)5(12)6(13)4(3)7(10)11/h1,7H
InChIKey
KIBLRIPGOQGAJN-UHFFFAOYSA-N
Canonic Smiles
ClC(c1c(Cl)cc(c(c1F)F)C(F)(F)F)Cl
Isomeric Smiles
Fc1c(cc(c(c1F)C(Cl)Cl)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.996485
LogD (pH = 7.4)
4.996485
Log P
4.996485
Molar Refractivity
52.1903
Polarizability
19.111345
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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