Molecule

ID:41420

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₆
Molecular Mass
251.19226
Exact Mass
251.04298701
Charge
0
InChI
InChI=1S/C11H9NO6/c1-17-10(13)6-7-18-11(14)8-2-4-9(5-3-8)12(15)16/h2-7H,1H3/b7-6+
InChIKey
LQMGFOZCJPSYBM-VOTSOKGWSA-N
Canonic Smiles
COC(=O)/C=C/OC(=O)c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
c1c(ccc(c1)C(=O)O/C=C/C(=O)OC)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.226747
LogD (pH = 7.4)
2.226747
Log P
2.226747
Molar Refractivity
61.1849
Polarizability
22.813992
Polar Surface Area
98.42
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
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Molecule Details
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References
Bioactivity
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