Molecule

ID:65938

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁N₃O
Molecular Mass
129.16034
Exact Mass
129.09021199
Charge
0
InChI
InChI=1S/C5H11N3O/c6-5(7)8-1-3-9-4-2-8/h1-4H2,(H3,6,7)
InChIKey
WCUWHUUPGXCMMQ-UHFFFAOYSA-N
Canonic Smiles
NC(=N)N1CCOCC1
Isomeric Smiles
C1CN(CCO1)C(=N)N
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.3311896
LogD (pH = 7.4)
-3.329383
Log P
-0.915754
Molar Refractivity
45.0026
Polarizability
12.943
Polar Surface Area
62.34
Rotatable Bonds
0
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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