Molecule

ID:70403

General Information
Structure
Molecular Formula
C₁₀H₉NO₆
Molecular Mass
239.18156
Exact Mass
239.04298701
Charge
0
InChI
InChI=1S/C10H9NO6/c1-16-9(12)6-3-7(10(13)17-2)5-8(4-6)11(14)15/h3-5H,1-2H3
InChIKey
GGTSJKFPGKFLCZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OC
Isomeric Smiles
C(=O)(c1cc(C(=O)OC)cc(c1)[N+](=O)[O-])OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.9201839
LogD (pH = 7.4)
1.9201839
Log P
1.9201839
Molar Refractivity
56.4291
Polarizability
21.22613
Polar Surface Area
95.74
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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