Molecule

ID:86346

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃NO₅
Molecular Mass
275.25672
Exact Mass
275.07937252
Charge
0
InChI
InChI=1S/C14H13NO5/c1-3-19-14(16)12-8-13(20-9(12)2)10-5-4-6-11(7-10)15(17)18/h4-8H,3H2,1-2H3
InChIKey
JAHZJSHMYFDWKD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(oc1C)c1cccc(c1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cccc(c1)c1cc(c(o1)C)C(=O)OCC)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.1805482
LogD (pH = 7.4)
3.1805482
Log P
3.1805482
Molar Refractivity
72.8334
Polarizability
28.056679
Polar Surface Area
85.26
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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