Molecule

ID:7072

General Information
Structure
Molecular Formula
C₁₀H₅ClF₃N
Molecular Mass
231.6016096
Exact Mass
231.00626151
Charge
0
InChI
InChI=1S/C10H5ClF3N/c11-7-5-9(10(12,13)14)15-8-4-2-1-3-6(7)8/h1-5H
InChIKey
ONNDFDQMHCNEGF-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(nc2c1cccc2)C(F)(F)F
Isomeric Smiles
n1c(C(F)(F)F)cc(Cl)c2ccccc12
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9986432
LogD (pH = 7.4)
3.9986439
Log P
3.9986439
Molar Refractivity
50.3858
Polarizability
19.891546
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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