Molecule

ID:97502

General Information
Structure
MolImage
Molecular Formula
C₈H₃ClF₁₂O₂
Molecular Mass
394.5420584
Exact Mass
393.96299566
Charge
0
InChI
InChI=1S/C8H3ClF12O2/c1-23-2(22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(9,20)21/h1H3
InChIKey
LFJYRZDDNDXLQI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(C(C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.764777
LogD (pH = 7.4)
4.764777
Log P
4.764777
Molar Refractivity
46.5978
Polarizability
18.340979
Polar Surface Area
26.3
Rotatable Bonds
7
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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