Molecule

ID:124460

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆F₂N₄
Molecular Mass
220.1782464
Exact Mass
220.05605265
Charge
0
InChI
InChI=1S/C10H6F2N4/c11-7-1-8(12)3-9(2-7)16-10(14)6(4-13)5-15-16/h1-3,5H,14H2
InChIKey
JIHJPKCDPMMQFW-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cnn(c1N)c1cc(F)cc(c1)F
Isomeric Smiles
n1(c(c(cn1)C#N)N)c1cc(cc(c1)F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4607836
LogD (pH = 7.4)
1.4609276
Log P
1.4609294
Molar Refractivity
54.5278
Polarizability
19.805498
Polar Surface Area
67.63
Rotatable Bonds
1
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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