Molecule

ID:99560

General Information
Structure
MolImage
Molecular Formula
C₄H₃ClF₆O
Molecular Mass
216.5094392
Exact Mass
215.97766172
Charge
0
InChI
InChI=1S/C4H3ClF6O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2
InChIKey
SNVWPWRMMAPUJZ-UHFFFAOYSA-N
Canonic Smiles
FC(C(OCC(F)(F)F)(F)F)Cl
Isomeric Smiles
O(CC(F)(F)F)C(C(Cl)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8275473
LogD (pH = 7.4)
2.8275473
Log P
2.8275473
Molar Refractivity
28.5066
Polarizability
10.709646
Polar Surface Area
9.23
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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