Molecule

ID:98563

General Information
Structure
MolImage
Molecular Formula
C₅Cl₃F₅
Molecular Mass
261.404516
Exact Mass
259.89857414
Charge
0
InChI
InChI=1S/C5Cl3F5/c6-1-2(7)4(10,11)5(12,13)3(1,8)9
InChIKey
JMTPGSMYAMXWBK-UHFFFAOYSA-N
Canonic Smiles
ClC1=C(Cl)C(C(C1(F)F)(F)F)(F)Cl
Isomeric Smiles
ClC1=C(Cl)C(F)(C(C1(F)F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5360973
LogD (pH = 7.4)
3.5360973
Log P
3.5360973
Molar Refractivity
38.6735
Polarizability
14.547485
Polar Surface Area
0.0
Rotatable Bonds
0
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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