Molecule

ID:31453

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂Cl₂F₃N₃
Molecular Mass
302.1235896
Exact Mass
301.03603742
Charge
0
InChI
InChI=1S/C10H10F3N3.2ClH/c1-2-16-8-4-3-6(14)5-7(8)15-9(16)10(11,12)13;;/h3-5H,2,14H2,1H3;2*1H
InChIKey
HXNNSUIXQWLDOC-UHFFFAOYSA-N
Canonic Smiles
CCn1c2ccc(cc2nc1C(F)(F)F)N.Cl.Cl
Isomeric Smiles
c1(nc2c(n1CC)ccc(c2)N)C(F)(F)F.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.242323
LogD (pH = 7.4)
2.2661424
Log P
2.2664554
Molar Refractivity
54.7651
Polarizability
20.44192
Polar Surface Area
43.84
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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