Molecule

ID:8946

General Information
Structure
MolImage
Molecular Formula
C₅Cl₂F₃N
Molecular Mass
201.9614096
Exact Mass
200.93598903
Charge
0
InChI
InChI=1S/C5Cl2F3N/c6-1-3(8)2(7)5(10)11-4(1)9
InChIKey
PKSORSNCSXBXOT-UHFFFAOYSA-N
Canonic Smiles
Fc1nc(F)c(c(c1Cl)F)Cl
Isomeric Smiles
c1(c(c(c(c(n1)F)Cl)F)Cl)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1796298
LogD (pH = 7.4)
3.1796298
Log P
3.1796298
Molar Refractivity
36.1893
Polarizability
13.034328
Polar Surface Area
12.89
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
References
Bioactivity
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