Molecule

ID:115418

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃O₄
Molecular Mass
241.2438
Exact Mass
241.10625598
Charge
0
InChI
InChI=1S/C10H15N3O4/c1-12-8(11)7(6(14)4-5-17-3)9(15)13(2)10(12)16/h4-5,11H2,1-3H3
InChIKey
ATQRCTHKAONKAH-UHFFFAOYSA-N
Canonic Smiles
COCCC(=O)c1c(N)n(C)c(=O)n(c1=O)C
Isomeric Smiles
n1(c(c(c(=O)n(c1=O)C)C(=O)CCOC)N)C
Calculated Properties
JChem
Acid pKa
17.046438
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.92946804
LogD (pH = 7.4)
-0.9293795
Log P
-0.9293784
Molar Refractivity
69.4769
Polarizability
22.643085
Polar Surface Area
92.94
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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