Molecule

ID:115417

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃O₃
Molecular Mass
225.2444
Exact Mass
225.11134136
Charge
0
InChI
InChI=1S/C10H15N3O3/c1-4-5-6(14)7-8(11)12(2)10(16)13(3)9(7)15/h4-5,11H2,1-3H3
InChIKey
PTSGVVTYAOAWIB-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)c1c(N)n(C)c(=O)n(c1=O)C
Isomeric Smiles
n1(c(c(c(=O)n(c1=O)C)C(=O)CCC)N)C
Calculated Properties
JChem
Acid pKa
19.199734
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.1527442
LogD (pH = 7.4)
0.15283377
Log P
0.1528349
Molar Refractivity
67.552
Polarizability
21.893147
Polar Surface Area
83.71
Rotatable Bonds
3
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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