Molecule

ID:59781

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₄O₃
Molecular Mass
234.2114
Exact Mass
234.0752902
Charge
0
InChI
InChI=1S/C10H10N4O3/c11-13-8(15)5-14-9(16)6-3-1-2-4-7(6)12-10(14)17/h1-4H,5,11H2,(H,12,17)(H,13,15)
InChIKey
BBIUTKWWDHKWBT-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)Cn1c(=O)[nH]c2c(c1=O)cccc2
Isomeric Smiles
n1(c(=O)[nH]c2c(c1=O)cccc2)CC(=O)NN
Calculated Properties
JChem
Acid pKa
11.260783
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.005758493
LogD (pH = 7.4)
-0.004879401
Log P
-0.004811355
Molar Refractivity
61.0637
Polarizability
21.90055
Polar Surface Area
104.53
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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