Molecule

ID:54144

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N₃O₅
Molecular Mass
271.26978
Exact Mass
271.11682066
Charge
0
InChI
InChI=1S/C11H17N3O5/c1-5-17-9(15)8-14-13-7(18-8)6-12-10(16)19-11(2,3)4/h5-6H2,1-4H3,(H,12,16)
InChIKey
AWBKZLODEPRJBN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nnc(o1)CNC(=O)OC(C)(C)C
Isomeric Smiles
c1(nnc(o1)CNC(=O)OC(C)(C)C)C(=O)OCC
Calculated Properties
JChem
Acid pKa
12.730138
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.1835476
LogD (pH = 7.4)
0.18354583
Log P
0.18354762
Molar Refractivity
65.9081
Polarizability
24.879084
Polar Surface Area
103.55
Rotatable Bonds
7
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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