Molecule

ID:71381

General Information
Structure
MolImage
Molecular Formula
C₃H₅N₅O₂
Molecular Mass
143.1041
Exact Mass
143.04432443
Charge
0
InChI
InChI=1S/C3H5N5O2/c4-2(6-9)1-3(5)8-10-7-1/h9H,(H2,4,6)(H2,5,8)
InChIKey
DNFUTAVRGAVUKE-UHFFFAOYSA-N
Canonic Smiles
Nc1nonc1C(=N)NO
Isomeric Smiles
c1(c(non1)N)C(=N)NO
Calculated Properties
JChem
Acid pKa
13.511084
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-1.3044078
LogD (pH = 7.4)
-1.3044072
Log P
-1.3044069
Molar Refractivity
55.0004
Polarizability
11.203363
Polar Surface Area
121.05
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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