Molecule

ID:60230

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₄O₃
Molecular Mass
238.24316
Exact Mass
238.10659033
Charge
0
InChI
InChI=1S/C10H14N4O3/c1-2-17-10(16)14-4-3-6-7(5-14)12-9(11)13-8(6)15/h2-5H2,1H3,(H3,11,12,13,15)
InChIKey
LVRFMGWNZXKKNC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)N1CCc2c(C1)nc(nc2O)N
Isomeric Smiles
n1c(nc2c(c1O)CCN(C2)C(=O)OCC)N
Calculated Properties
JChem
Acid pKa
12.695298
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.45620698
LogD (pH = 7.4)
0.45623577
Log P
0.45623833
Molar Refractivity
61.6366
Polarizability
22.619312
Polar Surface Area
101.57
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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