Molecule

ID:8072

General Information
Structure
MolImage
Molecular Formula
C₆HClF₄O
Molecular Mass
200.5181528
Exact Mass
199.96520521
Charge
0
InChI
InChI=1S/C6HClF4O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChIKey
DYRVFYHTONHQSA-UHFFFAOYSA-N
Canonic Smiles
Oc1c(F)c(F)c(c(c1F)F)Cl
Isomeric Smiles
c1(c(c(c(c(c1F)O)F)F)Cl)F
Calculated Properties
JChem
Acid pKa
5.66875
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6229396
LogD (pH = 7.4)
1.3063414
Log P
2.844533
Molar Refractivity
33.7093
Polarizability
12.401558
Polar Surface Area
20.23
Rotatable Bonds
0
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
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References
Bioactivity
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