Molecule

ID:60838

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₆
Molecular Mass
214.2266
Exact Mass
214.09669435
Charge
0
InChI
InChI=1S/C10H10N6/c1-6-3-7(2)15-10(14-6)16-9(12)8(4-11)5-13-16/h3,5H,12H2,1-2H3
InChIKey
WQQKULDQYMETRA-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cnn(c1N)c1nc(C)cc(n1)C
Isomeric Smiles
c1c(nc(nc1C)n1c(c(cn1)C#N)N)C
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.1934748
LogD (pH = 7.4)
0.19354072
Log P
0.19354157
Molar Refractivity
59.8883
Polarizability
21.48371
Polar Surface Area
93.41
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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