Molecule

ID:99790

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClF₂N₅
Molecular Mass
249.6483064
Exact Mass
249.05927947
Charge
0
InChI
InChI=1S/C8H9F2N5.ClH/c9-5-2-1-4(3-6(5)10)14-8(13)15-7(11)12;/h1-3H,(H6,11,12,13,14,15);1H
InChIKey
ZBFPCRPVJPFGBR-UHFFFAOYSA-N
Canonic Smiles
NC(=N)NC(=N)Nc1ccc(c(c1)F)F.Cl
Isomeric Smiles
N(c1cc(c(cc1)F)F)C(=N)NC(=N)N.Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
5
LogD (pH = 5.5)
-3.3978345
LogD (pH = 7.4)
-1.6160107
Log P
1.011467
Molar Refractivity
73.3392
Polarizability
18.395742
Polar Surface Area
97.78
Rotatable Bonds
1
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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