Molecule

ID:61849

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁NO₅
Molecular Mass
273.24084
Exact Mass
273.06372246
Charge
0
InChI
InChI=1S/C14H11NO5/c16-14(17)11-6-7-12(15(18)19)13(8-11)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKey
YNHGQAXYDLCNSS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(c(c1)OCc1ccccc1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1c(cc(C(=O)O)cc1)OCc1ccccc1)[O-]
Calculated Properties
JChem
Acid pKa
3.4020581
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.052009
LogD (pH = 7.4)
-0.2647798
Log P
3.1376147
Molar Refractivity
71.7147
Polarizability
26.678858
Polar Surface Area
92.35
Rotatable Bonds
5
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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