Molecule

ID:70113

General Information
Structure
MolImage
Molecular Formula
C₃H₇N₃O₂
Molecular Mass
117.10658
Exact Mass
117.05382648
Charge
0
InChI
InChI=1S/C3H7N3O2/c4-1(2(5)7)3(6)8/h1H,4H2,(H2,5,7)(H2,6,8)
InChIKey
GFQBSQXXHYLABK-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)N)C(=O)N
Isomeric Smiles
C(=O)(C(C(=O)N)N)N
Calculated Properties
JChem
Acid pKa
14.680026
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-3.800701
LogD (pH = 7.4)
-2.8180325
Log P
-2.7670426
Molar Refractivity
25.6279
Polarizability
10.332195
Polar Surface Area
112.2
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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