Molecule

ID:135278

General Information
Structure
MolImage
Molecular Formula
C₂H₅N₃O₂
Molecular Mass
106.06022669
Exact Mass
106.02928109
Charge
0
InChI
InChI=1S/C2H5N3O2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)/i3+1,4+1,5+1
InChIKey
OHJMTUPIZMNBFR-FRSWOAELSA-N
Canonic Smiles
[15NH2]C(=O)[15NH]C(=O)[15NH2]
Isomeric Smiles
C(=O)([15NH2])[15NH]C(=O)[15NH2]
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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