Molecule

ID:107684

General Information
Structure
MolImage
Molecular Formula
C₄H₈N₄O₄
Molecular Mass
176.13072
Exact Mass
176.05455476
Charge
0
InChI
InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)
InChIKey
NUCLJNSWZCHRKL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(NC(=O)N)NC(=O)N
Isomeric Smiles
NC(=O)NC(NC(=O)N)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-6.01
LogD (pH = 5.5)
-4.81
Log P
-2.57
Rotatable Bonds
3
H Donor
5
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
3.24
Polar Surface Area
147.54
Polarizability
14.62
Molar Refractivity
35.10
LOG S
-0.36
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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