Molecule

ID:116470

General Information
Structure
MolImage
Molecular Formula
C₈H₃ClF₃N₃O
Molecular Mass
249.5771296
Exact Mass
248.99167407
Charge
0
InChI
InChI=1S/C8H3ClF3N3O/c9-5-2-1-4(3-13-5)6-14-7(16-15-6)8(10,11)12/h1-3H
InChIKey
YCZNZYRQOVINBE-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cn1)c1noc(n1)C(F)(F)F
Isomeric Smiles
c1(nc(no1)c1cnc(cc1)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.0455084
LogD (pH = 7.4)
3.045509
Log P
3.045509
Molar Refractivity
61.2453
Polarizability
18.266012
Polar Surface Area
51.81
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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