Molecule

ID:6763

General Information
Structure
Molecular Formula
C₈H₂ClF₅O₂
Molecular Mass
260.545296
Exact Mass
259.96634808
Charge
0
InChI
InChI=1S/C8H2ClF5O2/c9-8(15)16-1-2-3(10)5(12)7(14)6(13)4(2)11/h1H2
InChIKey
CAKTVARYLWEKSA-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)OCc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
c1(c(c(c(c(c1F)F)F)F)F)COC(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3672578
LogD (pH = 7.4)
3.3672578
Log P
3.3672578
Molar Refractivity
43.8204
Polarizability
16.136864
Polar Surface Area
26.3
Rotatable Bonds
3
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
No Data Available
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Molecule Details
References
Bioactivity
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