Molecule

ID:37078

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₄O₂
Molecular Mass
156.14262
Exact Mass
156.06472552
Charge
0
InChI
InChI=1S/C5H8N4O2/c1-9-4(10)2-3(8-6)7-5(9)11/h2,8H,6H2,1H3,(H,7,11)
InChIKey
FJTQFNMCDOXSTE-UHFFFAOYSA-N
Canonic Smiles
NNc1cc(=O)n(c(=O)[nH]1)C
Isomeric Smiles
n1(c(=O)[nH]c(cc1=O)NN)C
Calculated Properties
JChem
Acid pKa
10.279495
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.3362405
LogD (pH = 7.4)
-1.3182825
Log P
-1.3174697
Molar Refractivity
58.7789
Polarizability
14.08098
Polar Surface Area
87.46
Rotatable Bonds
1
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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