Molecule

ID:96106

General Information
Structure
MolImage
Molecular Formula
C₁₃H₅Cl₂F₃N₄O
Molecular Mass
361.1062096
Exact Mass
359.97925082
Charge
0
InChI
InChI=1S/C13H5Cl2F3N4O/c14-9-3-6(4-10(15)20-9)12-21-11(22-23-12)7-5-19-2-1-8(7)13(16,17)18/h1-5H
InChIKey
RJXVHGOFDJSROK-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)cc(c1)c1onc(n1)c1cnccc1C(F)(F)F
Isomeric Smiles
n1c(c2cc(nc(c2)Cl)Cl)onc1c1cnccc1C(F)(F)F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.322852
LogD (pH = 7.4)
4.3262405
Log P
4.326284
Molar Refractivity
100.5789
Polarizability
29.416424
Polar Surface Area
64.7
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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