Molecule

ID:72170

General Information
Structure
MolImage
Molecular Formula
C₃H₇N₃O₂
Molecular Mass
117.10658
Exact Mass
117.05382648
Charge
0
InChI
InChI=1S/C3H7N3O2/c1-5-3(7)2(4)6-8/h8H,1H3,(H2,4,6)(H,5,7)
InChIKey
DQMRGSWXCVMJRV-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)/C(=N/O)/N
Isomeric Smiles
C(=N\O)(/C(=O)NC)\N
Calculated Properties
JChem
Acid pKa
9.67848
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.5873512
LogD (pH = 7.4)
-1.589586
Log P
-1.5873142
Molar Refractivity
26.9235
Polarizability
10.17117
Polar Surface Area
87.71
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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