Molecule

ID:99668

General Information
Structure
MolImage
Molecular Formula
C₄H₃Cl₂F₅
Molecular Mass
216.964636
Exact Mass
215.95319656
Charge
0
InChI
InChI=1S/C4H3Cl2F5/c5-2(4(6,10)11)1-3(7,8)9/h2H,1H2
InChIKey
FTPHAWKOBMZSCZ-UHFFFAOYSA-N
Canonic Smiles
ClC(C(Cl)(F)F)CC(F)(F)F
Isomeric Smiles
ClC(F)(C(CC(F)(F)F)Cl)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.096148
LogD (pH = 7.4)
3.096148
Log P
3.096148
Molar Refractivity
31.1693
Polarizability
11.747482
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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