Molecule

ID:96141

General Information
Structure
MolImage
Molecular Formula
C₁₄H₆Cl₂F₃N₃O
Molecular Mass
360.1181496
Exact Mass
358.98400185
Charge
0
InChI
InChI=1S/C14H6Cl2F3N3O/c15-8-3-1-2-7(4-8)12-21-22-13(23-12)9-6-20-11(16)5-10(9)14(17,18)19/h1-6H
InChIKey
BBSOUFBBGLTYNA-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(c1)C(F)(F)F)c1nnc(o1)c1cccc(c1)Cl
Isomeric Smiles
o1c(nnc1c1cc(ccc1)Cl)c1cnc(cc1C(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.092668
LogD (pH = 7.4)
4.0926685
Log P
4.0926685
Molar Refractivity
101.6745
Polarizability
30.154284
Polar Surface Area
51.81
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
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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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