Molecule

ID:62021

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃O₃
Molecular Mass
225.2444
Exact Mass
225.11134136
Charge
0
InChI
InChI=1S/C10H15N3O3/c1-7-11-8(2)13(12-7)5-4-9(14)6-10(15)16-3/h4-6H2,1-3H3
InChIKey
DAPAMBVLBJVFCX-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(=O)CCn1nc(nc1C)C
Isomeric Smiles
n1c(n(nc1C)CCC(=O)CC(=O)OC)C
Calculated Properties
JChem
Acid pKa
10.597296
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.916637
LogD (pH = 7.4)
0.9173018
Log P
0.45092243
Molar Refractivity
68.6489
Polarizability
21.761618
Polar Surface Area
74.08
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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