Molecule

ID:51254

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆N₄O₃
Molecular Mass
228.24834
Exact Mass
228.12224039
Charge
0
InChI
InChI=1S/C9H16N4O3/c1-12-6-8(15)13(9(12)16)5-3-2-4-7(14)11-10/h2-6,10H2,1H3,(H,11,14)
InChIKey
UGVPHAXQDZWUCE-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CCCCN1C(=O)CN(C1=O)C
Isomeric Smiles
N1(C(=O)N(CC1=O)C)CCCCC(=O)NN
Calculated Properties
JChem
Acid pKa
12.693709
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.6606143
LogD (pH = 7.4)
-1.658095
Log P
-1.6580607
Molar Refractivity
57.2858
Polarizability
21.756643
Polar Surface Area
95.74
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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