Molecule

ID:64195

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O₅
Molecular Mass
270.28172
Exact Mass
270.12157169
Charge
0
InChI
InChI=1S/C12H18N2O5/c1-5-17-10(15)9-6-8(19-14-9)7-13-11(16)18-12(2,3)4/h6H,5,7H2,1-4H3,(H,13,16)
InChIKey
XMBGWRAQFDOMCS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1noc(c1)CNC(=O)OC(C)(C)C
Isomeric Smiles
c1(noc(c1)CNC(=O)OC(C)(C)C)C(=O)OCC
Calculated Properties
JChem
Acid pKa
13.082776
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4217933
LogD (pH = 7.4)
1.4217926
Log P
1.4217935
Molar Refractivity
67.1258
Polarizability
25.681551
Polar Surface Area
90.66
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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