Molecule

ID:102024

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO₅
Molecular Mass
227.21392
Exact Mass
227.07937252
Charge
0
InChI
InChI=1S/C10H13NO5/c1-13-7-5-6(10(12)16-4)8(14-2)11-9(7)15-3/h5H,1-4H3
InChIKey
ZAWUMIQBYANWHM-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C(=O)OC)c(nc1OC)OC
Isomeric Smiles
c1(c(nc(c(c1)OC)OC)OC)C(=O)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.474951
LogD (pH = 7.4)
1.4749516
Log P
1.4749516
Molar Refractivity
55.943
Polarizability
21.530918
Polar Surface Area
66.88
Rotatable Bonds
5
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
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Molecule Details
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References
Bioactivity
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