Molecule

ID:11130

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂N₄O₅
Molecular Mass
256.21538
Exact Mass
256.0807695
Charge
0
InChI
InChI=1S/C9H12N4O5/c10-8-7(11-18-12-8)9(15)17-5-6(14)13-1-3-16-4-2-13/h1-5H2,(H2,10,12)
InChIKey
DPFZVPUIRPFXCQ-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCOCC1)COC(=O)c1nonc1N
Isomeric Smiles
c1(c(non1)N)C(=O)OCC(=O)N1CCOCC1
Calculated Properties
JChem
Acid pKa
13.073732
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-0.9331577
LogD (pH = 7.4)
-0.9331585
Log P
-0.9331577
Molar Refractivity
59.8705
Polarizability
21.745735
Polar Surface Area
120.78
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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