Molecule

ID:96662

General Information
Structure
MolImage
Molecular Formula
C₁₄H₆Cl₂F₃N₃O₂
Molecular Mass
376.1175496
Exact Mass
374.97891647
Charge
0
InChI
InChI=1S/C14H6Cl2F3N3O2/c15-10-5-8(6-11(16)20-10)13-22-21-12(23-13)7-1-3-9(4-2-7)24-14(17,18)19/h1-6H
InChIKey
YXKCCBADOMXEMI-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)cc(c1)c1nnc(o1)c1ccc(cc1)OC(F)(F)F
Isomeric Smiles
o1c(nnc1c1ccc(cc1)OC(F)(F)F)c1cc(nc(c1)Cl)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.866109
LogD (pH = 7.4)
4.866109
Log P
4.866109
Molar Refractivity
99.8324
Polarizability
30.984987
Polar Surface Area
61.04
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
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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