Molecule

ID:98254

General Information
Structure
MolImage
Molecular Formula
C₆H₈ClF₆NO₂
Molecular Mass
275.5766392
Exact Mass
275.0147755
Charge
0
InChI
InChI=1S/C6H7F6NO2.ClH/c1-15-4(14)2(13)3(5(7,8)9)6(10,11)12;/h2-3H,13H2,1H3;1H
InChIKey
VPDJDWCROPWRGJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(C(F)(F)F)C(F)(F)F)N.Cl
Isomeric Smiles
O=C(OC)C(C(C(F)(F)F)C(F)(F)F)N.Cl
Calculated Properties
JChem
Acid pKa
14.273906
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.3924939
LogD (pH = 7.4)
0.91182226
Log P
1.0357134
Molar Refractivity
35.9754
Polarizability
13.789736
Polar Surface Area
52.32
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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