Molecule

ID:96698

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈ClF₃N₄O₂
Molecular Mass
356.6871296
Exact Mass
356.02878786
Charge
0
InChI
InChI=1S/C14H8ClF3N4O2/c1-7-6-9(20-13(15)19-7)12-22-21-11(23-12)8-4-2-3-5-10(8)24-14(16,17)18/h2-6H,1H3
InChIKey
SLQBFNIVXDPWDJ-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(Cl)nc(c1)c1nnc(o1)c1ccccc1OC(F)(F)F
Isomeric Smiles
o1c(nnc1c1ccccc1OC(F)(F)F)c1nc(nc(c1)C)Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.937598
LogD (pH = 7.4)
3.937598
Log P
3.937598
Molar Refractivity
96.6395
Polarizability
29.958788
Polar Surface Area
73.93
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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