Molecule

ID:57716

General Information
Structure
Molecular Formula
C₁₀H₁₀N₄O₂
Molecular Mass
218.212
Exact Mass
218.08037558
Charge
0
InChI
InChI=1S/C10H10N4O2/c11-12-9(15)5-8-6-3-1-2-4-7(6)10(16)14-13-8/h1-4H,5,11H2,(H,12,15)(H,14,16)
InChIKey
LRYHCCVJXQEMLN-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)Cc1n[nH]c(=O)c2c1cccc2
Isomeric Smiles
n1c(c2c(c(=O)[nH]1)cccc2)CC(=O)NN
Calculated Properties
JChem
Acid pKa
10.9849825
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.3779219
LogD (pH = 7.4)
-0.3762791
Log P
-0.37615576
Molar Refractivity
58.6467
Polarizability
21.356012
Polar Surface Area
96.58
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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