Molecule

ID:114912

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁N₅O₂
Molecular Mass
221.21594
Exact Mass
221.09127462
Charge
0
InChI
InChI=1S/C9H11N5O2/c1-13-7-6(5(12-10)3-4-11-7)8(15)14(2)9(13)16/h3-4H,10H2,1-2H3,(H,11,12)
InChIKey
OAWXPKMODSSVSY-UHFFFAOYSA-N
Canonic Smiles
NNc1ccnc2c1c(=O)n(C)c(=O)n2C
Isomeric Smiles
n1(c(=O)n(c2c(c1=O)c(NN)ccn2)C)C
Calculated Properties
JChem
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.19299161
LogD (pH = 7.4)
0.25230762
Log P
0.2531174
Molar Refractivity
59.652
Polarizability
20.919996
Polar Surface Area
91.56
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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