Molecule

ID:100679

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃Cl₂F₃O
Molecular Mass
253.0894296
Exact Mass
252.02955506
Charge
0
InChI
InChI=1S/C8H13Cl2F3O/c1-2-3-5-14-6-4-7(9,10)8(11,12)13/h2-6H2,1H3
InChIKey
FYEZPWQRDJPSTL-UHFFFAOYSA-N
Canonic Smiles
CCCCOCCC(C(F)(F)F)(Cl)Cl
Isomeric Smiles
O(CCC(C(F)(F)F)(Cl)Cl)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.241345
LogD (pH = 7.4)
4.241345
Log P
4.241345
Molar Refractivity
51.293
Polarizability
19.45883
Polar Surface Area
9.23
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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