Molecule

ID:42317

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅ClF₃N₃
Molecular Mass
259.6150096
Exact Mass
259.01240952
Charge
0
InChI
InChI=1S/C10H5ClF3N3/c11-8-5-7(10(12,13)14)16-9(17-8)6-1-3-15-4-2-6/h1-5H
InChIKey
BXRCPVMQUNIGDK-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(nc(c1)C(F)(F)F)c1ccncc1
Isomeric Smiles
c1(nc(nc(c1)Cl)c1ccncc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.2853715
LogD (pH = 7.4)
3.2872953
Log P
3.28732
Molar Refractivity
67.4443
Polarizability
21.088844
Polar Surface Area
38.67
Rotatable Bonds
2
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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