Molecule

ID:42723

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇NO₆
Molecular Mass
249.17638
Exact Mass
249.02733695
Charge
0
InChI
InChI=1S/C11H7NO6/c1-17-10(13)8-5-6-4-7(12(15)16)2-3-9(6)18-11(8)14/h2-5H,1H3
InChIKey
CVKSEQDWXKMNGP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]
Isomeric Smiles
c1c(ccc2c1cc(c(=O)o2)C(=O)OC)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.6898143
LogD (pH = 7.4)
1.6898143
Log P
1.6898143
Molar Refractivity
59.7167
Polarizability
22.18475
Polar Surface Area
98.42
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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