Molecule

ID:50745

General Information
Structure
MolImage
Molecular Formula
C₁₄H₇ClF₃N₃O
Molecular Mass
325.6730896
Exact Mass
325.0229742
Charge
0
InChI
InChI=1S/C14H7ClF3N3O/c15-11-9(12-20-13(22-21-12)14(16,17)18)6-7-10(19-11)8-4-2-1-3-5-8/h1-7H
InChIKey
MWCZTICCTDGJJU-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(ccc1c1noc(n1)C(F)(F)F)c1ccccc1
Isomeric Smiles
c1(nc(c2c(nc(cc2)c2ccccc2)Cl)no1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.0895762
LogD (pH = 7.4)
5.0895767
Log P
5.0895767
Molar Refractivity
86.0095
Polarizability
28.81586
Polar Surface Area
51.81
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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