Molecule

ID:36437

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇NO₅
Molecular Mass
233.17698
Exact Mass
233.03242233
Charge
0
InChI
InChI=1S/C11H7NO5/c1-6-2-8-10(14)7(4-13)5-17-11(8)9(3-6)12(15)16/h2-5H,1H3
InChIKey
SXWLMTKBGJSOBH-UHFFFAOYSA-N
Canonic Smiles
O=Cc1coc2c(c1=O)cc(cc2[N+](=O)[O-])C
Isomeric Smiles
c1(cc(c2c(c1)c(=O)c(co2)C=O)[N+](=O)[O-])C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.551513
LogD (pH = 7.4)
1.551513
Log P
1.551513
Molar Refractivity
58.8029
Polarizability
21.27738
Polar Surface Area
89.19
Rotatable Bonds
2
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
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References
Bioactivity
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