Molecule

ID:7646

General Information
Structure
Molecular Formula
C₁₀H₄ClF₄N
Molecular Mass
249.5920728
Exact Mass
248.99683969
Charge
0
InChI
InChI=1S/C10H4ClF4N/c11-7-4-9(10(13,14)15)16-8-2-1-5(12)3-6(7)8/h1-4H
InChIKey
BLIVSENQFPJREV-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)c(Cl)cc(n2)C(F)(F)F
Isomeric Smiles
c1(ccc2c(c1)c(cc(n2)C(F)(F)F)Cl)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.141346
LogD (pH = 7.4)
4.141346
Log P
4.141346
Molar Refractivity
50.6022
Polarizability
19.73458
Polar Surface Area
12.89
Rotatable Bonds
1
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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