Molecule

ID:99798

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClF₆N₅
Molecular Mass
349.6633192
Exact Mass
349.05289235
Charge
0
InChI
InChI=1S/C10H9F6N5.ClH/c11-9(12,13)4-1-5(10(14,15)16)3-6(2-4)20-8(19)21-7(17)18;/h1-3H,(H6,17,18,19,20,21);1H
InChIKey
VEHPYWMGWYCGTE-UHFFFAOYSA-N
Canonic Smiles
N=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)NC(=N)N.Cl
Isomeric Smiles
FC(c1cc(cc(c1)NC(=N)NC(=N)N)C(F)(F)F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
5
LogD (pH = 5.5)
-1.9106225
LogD (pH = 7.4)
-0.12582633
Log P
2.48176
Molar Refractivity
84.8538
Polarizability
21.739977
Polar Surface Area
97.78
Rotatable Bonds
3
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
Molecule Details
References
Bioactivity
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