Molecule

ID:75732

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₄O₃
Molecular Mass
226.23246
Exact Mass
226.10659033
Charge
0
InChI
InChI=1S/C9H14N4O3/c1-5(2)4-13-7(10)6(11-16)8(14)12(3)9(13)15/h5H,4,10H2,1-3H3
InChIKey
PXWGPZUKJUEITG-UHFFFAOYSA-N
Canonic Smiles
O=Nc1c(N)n(CC(C)C)c(=O)n(c1=O)C
Isomeric Smiles
n1(CC(C)C)c(c(c(=O)n(c1=O)C)N=O)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.03571743
LogD (pH = 7.4)
0.03572433
Log P
0.03572442
Molar Refractivity
65.9886
Polarizability
21.08073
Polar Surface Area
96.07
Rotatable Bonds
3
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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