Molecule

ID:59294

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₄O₂
Molecular Mass
198.22236
Exact Mass
198.11167571
Charge
0
InChI
InChI=1S/C8H14N4O2/c1-9-5-6(11(3)7(9)13)12(4)8(14)10(5)2/h5-6H,1-4H3
InChIKey
XIUUSFJTJXFNGH-UHFFFAOYSA-N
Canonic Smiles
CN1C(=O)N(C2C1N(C)C(=O)N2C)C
Isomeric Smiles
C1(=O)N(C2C(N1C)N(C(=O)N2C)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.8010779
LogD (pH = 7.4)
-0.8010779
Log P
-0.8010779
Molar Refractivity
49.027
Polarizability
18.812815
Polar Surface Area
47.1
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
No Data Available
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Molecule Details
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References
Bioactivity
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