Molecule

ID:115934

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₄O₂
Molecular Mass
224.25964
Exact Mass
224.12732577
Charge
0
InChI
InChI=1S/C10H16N4O2/c1-7-8(9(15)13-10(16)12-7)6-14-4-2-11-3-5-14/h11H,2-6H2,1H3,(H2,12,13,15,16)
InChIKey
JJAGXTZAZQZCAL-UHFFFAOYSA-N
Canonic Smiles
Cc1[nH]c(=O)[nH]c(=O)c1CN1CCNCC1
Isomeric Smiles
c1(c(=O)[nH]c(=O)[nH]c1C)CN1CCNCC1
Calculated Properties
JChem
Acid pKa
10.023669
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-4.5395713
LogD (pH = 7.4)
-3.2085457
Log P
-1.7632301
Molar Refractivity
60.4024
Polarizability
22.954752
Polar Surface Area
73.47
Rotatable Bonds
2
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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