Molecule

ID:127262

General Information
Structure
MolImage
Molecular Formula
C₃H₇N₃O₂
Molecular Mass
117.10658
Exact Mass
117.05382648
Charge
0
InChI
InChI=1S/C3H7N3O2/c1-2-6(5-8)3(4)7/h2H2,1H3,(H2,4,7)
InChIKey
FUSGACRLAFQQRL-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)N)N=O
Isomeric Smiles
CCN(N=O)C(=O)N
Calculated Properties
JChem
LogD (pH = 7.4)
-0.17
LogD (pH = 5.5)
-0.17
Log P
-0.17
Rotatable Bonds
2
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
14.60
Polar Surface Area
75.76
Polarizability
10.34
Molar Refractivity
28.15
LOG S
-0.76
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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