Molecule

ID:2469

General Information
Structure
MolImage
Molecular Formula
C₃H₇N₃O₂
Molecular Mass
117.10658
Exact Mass
117.05382648
Charge
0
InChI
InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)
InChIKey
BPMFZUMJYQTVII-UHFFFAOYSA-N
Canonic Smiles
NC(=N)NCC(=O)O
Isomeric Smiles
NC(=N)NCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-3.13
LogD (pH = 5.5)
-3.13
Log P
-3.13
Rotatable Bonds
2
H Donor
4
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
12.24
Polar Surface Area
99.20
Polarizability
10.53
Molar Refractivity
36.72
LOG S
0.06
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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