Molecule

ID:102031

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO₅
Molecular Mass
227.21392
Exact Mass
227.07937252
Charge
0
InChI
InChI=1S/C10H13NO5/c1-13-7-6(5-12)8(14-2)10(16-4)11-9(7)15-3/h5H,1-4H3
InChIKey
YXOHZRJDJWQZBL-UHFFFAOYSA-N
Canonic Smiles
COc1nc(OC)c(c(c1OC)C=O)OC
Isomeric Smiles
c1(c(nc(c(c1C=O)OC)OC)OC)OC
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
1.0263051
LogD (pH = 7.4)
1.0263057
Log P
1.0263057
Molar Refractivity
56.9649
Polarizability
21.527987
Polar Surface Area
66.88
Rotatable Bonds
5
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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