Molecule

ID:57510

General Information
Structure
MolImage
Molecular Formula
C₂H₅N₃O₂
Molecular Mass
103.08
Exact Mass
103.03817642
Charge
0
InChI
InChI=1S/C2H5N3O2/c3-1(5-7)2(4)6/h7H,(H2,3,5)(H2,4,6)
InChIKey
NZOXKLBUCRZPQB-UHFFFAOYSA-N
Canonic Smiles
N/C(=N\O)/C(=O)N
Isomeric Smiles
C(=O)(/C(=N/O)/N)N
Calculated Properties
JChem
Acid pKa
9.596256
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.8110353
LogD (pH = 7.4)
-1.813734
Log P
-1.8109903
Molar Refractivity
22.0268
Polarizability
8.376441
Polar Surface Area
101.7
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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