Molecule

ID:30807

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₄O₂
Molecular Mass
170.1692
Exact Mass
170.08037558
Charge
0
InChI
InChI=1S/C6H10N4O2/c1-2-3-5(6(11)12)10-4-7-8-9-10/h4-5H,2-3H2,1H3,(H,11,12)
InChIKey
NRJPIUHZDFFIPQ-UHFFFAOYSA-N
Canonic Smiles
CCCC(n1cnnn1)C(=O)O
Isomeric Smiles
n1(nnnc1)C(C(=O)O)CCC
Calculated Properties
JChem
Acid pKa
3.4418895
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.680932
LogD (pH = 7.4)
-3.025395
Log P
0.36655033
Molar Refractivity
53.2381
Polarizability
15.2706785
Polar Surface Area
80.9
Rotatable Bonds
4
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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