Molecule

ID:56044

General Information
Structure
Molecular Formula
C₃H₅N₅O₂
Molecular Mass
143.1041
Exact Mass
143.04432443
Charge
0
InChI
InChI=1S/C3H5N5O2/c4-2-1(3(9)6-5)7-10-8-2/h5H2,(H2,4,8)(H,6,9)
InChIKey
ASQCREDXLDLPDJ-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1nonc1N
Isomeric Smiles
n1c(c(no1)C(=O)NN)N
Calculated Properties
JChem
Acid pKa
11.042899
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.08267
LogD (pH = 7.4)
-1.0824538
Log P
-1.0823624
Molar Refractivity
34.633
Polarizability
11.163839
Polar Surface Area
120.06
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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