Molecule

ID:135027

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
C(C(=O)O)NC(=N)N
Calculated Properties
JChem
Acid pKa
3.3686967
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-3.1288266
LogD (pH = 7.4)
-3.1262124
Log P
-3.1262057
Molar Refractivity
36.718
Polarizability
9.945617
Polar Surface Area
99.2
Rotatable Bonds
2
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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