Molecule

ID:78841

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₅O
Molecular Mass
217.22724
Exact Mass
217.09636
Charge
0
InChI
InChI=1S/C10H11N5O/c1-7-9(10(16)12-11)14-15(13-7)8-5-3-2-4-6-8/h2-6H,11H2,1H3,(H,12,16)
InChIKey
MJJMGWDMMYKRMM-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1nn(nc1C)c1ccccc1
Isomeric Smiles
n1c(c(nn1c1ccccc1)C)C(=O)NN
Calculated Properties
JChem
Acid pKa
11.050599
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.4105633
LogD (pH = 7.4)
0.4109044
Log P
0.411
Molar Refractivity
71.4496
Polarizability
22.55285
Polar Surface Area
85.83
Rotatable Bonds
2
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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