Molecule

ID:34470

General Information
Structure
MolImage
Molecular Formula
C₃H₅N₅O₂
Molecular Mass
143.1041
Exact Mass
143.04432443
Charge
0
InChI
InChI=1S/C3H5N5O2/c4-3-5-7-8(6-3)1-2(9)10/h1H2,(H2,4,6)(H,9,10)
InChIKey
UEADUMUDFLTHOI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cn1nnc(n1)N
Isomeric Smiles
n1c(nnn1CC(=O)O)N
Calculated Properties
JChem
Acid pKa
2.789249
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-3.4660578
LogD (pH = 7.4)
-4.3106747
Log P
-0.8157922
Molar Refractivity
43.9561
Polarizability
11.048957
Polar Surface Area
106.92
Rotatable Bonds
2
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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