Molecule

ID:74174

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₆
Molecular Mass
241.19744
Exact Mass
241.05863708
Charge
0
InChI
InChI=1S/C10H11NO6/c1-15-8-4-6(10(12)17-3)7(11(13)14)5-9(8)16-2/h4-5H,1-3H3
InChIKey
SYYKLKHBZGFKOC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(OC)c(cc1[N+](=O)[O-])OC
Isomeric Smiles
O(C(=O)c1c(cc(c(c1)OC)OC)[N+](=O)[O-])C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.6013645
LogD (pH = 7.4)
1.6013645
Log P
1.6013645
Molar Refractivity
57.3302
Polarizability
21.826681
Polar Surface Area
87.9
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
No Data Available
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Molecule Details
References
Bioactivity
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