Molecule

ID:34487

General Information
Structure
MolImage
Molecular Formula
C₃H₆N₆O
Molecular Mass
142.11934
Exact Mass
142.06030884
Charge
0
InChI
InChI=1S/C3H6N6O/c4-6-3(10)1-9-2-5-7-8-9/h2H,1,4H2,(H,6,10)
InChIKey
YDORFIZIPBBRKA-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)Cn1cnnn1
Isomeric Smiles
n1(nnnc1)CC(=O)NN
Calculated Properties
JChem
Acid pKa
11.522559
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-2.2760062
LogD (pH = 7.4)
-2.2727964
Log P
-2.2727232
Molar Refractivity
45.9255
Polarizability
11.917361
Polar Surface Area
98.72
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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