Molecule

ID:41264

General Information
Structure
Molecular Formula
C₁₀H₁₁NO₅
Molecular Mass
225.19804
Exact Mass
225.06372246
Charge
0
InChI
InChI=1S/C10H11NO5/c1-2-15-10(12)7-16-9-5-3-8(4-6-9)11(13)14/h3-6H,2,7H2,1H3
InChIKey
DYHFNINPHJQASC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)COc1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
c1cc(ccc1OCC(=O)OCC)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.7362441
LogD (pH = 7.4)
1.7362441
Log P
1.7362441
Molar Refractivity
54.444
Polarizability
21.10578
Polar Surface Area
78.67
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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