Molecule

ID:134679

General Information
Structure
MolImage
Molecular Formula
C₂H₅N₃O₂
Molecular Mass
105.06530968
Exact Mass
105.04488609
Charge
0
InChI
InChI=1S/C2H5N3O2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)/i1+1,2+1
InChIKey
OHJMTUPIZMNBFR-ZDOIIHCHSA-N
Canonic Smiles
N[13C](=O)N[13C](=O)N
Isomeric Smiles
[13C](=O)(N)N[13C](=O)N
Calculated Properties
JChem
Acid pKa
11.795415
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
-1.7087713
LogD (pH = 7.4)
-1.7087883
Log P
-1.7087711
Molar Refractivity
21.3852
Polarizability
8.194691
Polar Surface Area
98.21
Rotatable Bonds
0
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
No Data Available
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Molecule Details
References
Bioactivity
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