Molecule

ID:13871

General Information
Structure
MolImage
Molecular Formula
C₃H₅N₅O₂
Molecular Mass
143.1041
Exact Mass
143.04432443
Charge
0
InChI
InChI=1S/C3H5N5O2/c4-3-5-6-7-8(3)1-2(9)10/h1H2,(H,9,10)(H2,4,5,7)
InChIKey
ZCQDUSMMXXCYAS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cn1nnnc1N
Isomeric Smiles
n1(c(nnn1)N)CC(=O)O
Calculated Properties
JChem
Acid pKa
2.9780073
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-3.796827
LogD (pH = 7.4)
-4.791159
Log P
-1.3139809
Molar Refractivity
43.7929
Polarizability
11.057124
Polar Surface Area
106.92
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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