Molecule

ID:126737

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃N₃O₂
Molecular Mass
159.18632
Exact Mass
159.10077667
Charge
0
InChI
InChI=1S/C6H13N3O2/c1-3-11-5(10)4-9(2)6(7)8/h3-4H2,1-2H3,(H3,7,8)
InChIKey
UFUWQSYRGLMLKP-UHFFFAOYSA-N
Canonic Smiles
CN(C(=N)N)CC(=O)OCC
Isomeric Smiles
O=C(OCC)CN(C(=N)N)C
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.1319358
LogD (pH = 7.4)
-3.12485
Log P
-0.71656823
Molar Refractivity
51.5304
Polarizability
15.613752
Polar Surface Area
79.41
Rotatable Bonds
4
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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