Molecule
ID:40463
General Information
Molecular Formula
C₃H₇N₃O
Molecular Mass
101.10718
Exact Mass
101.05891186
Charge
0
InChI
InChI=1S/C3H7N3O/c1-2(7)6-3(4)5/h1H3,(H4,4,5,6,7)
InChIKey
NGGXACLSAZXJGM-UHFFFAOYSA-N
Canonic Smiles
NC(=N)NC(=O)C
Isomeric Smiles
N(C(=N)N)C(=O)C
Calculated Properties
JChem
Acid pKa
13.516278
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-3.0129745
LogD (pH = 7.4)
-1.5552131
Log P
-1.3053974
Molar Refractivity
35.3026
Polarizability
9.401686
Polar Surface Area
78.97
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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