Molecule

ID:56165

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂O₅
Molecular Mass
286.2396
Exact Mass
286.05897143
Charge
0
InChI
InChI=1S/C14H10N2O5/c17-13(9-3-2-6-12(8-9)16(20)21)15-11-5-1-4-10(7-11)14(18)19/h1-8H,(H,15,17)(H,18,19)
InChIKey
WDZJWBKUKXGVAU-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccc(c1)[N+](=O)[O-])Nc1cccc(c1)C(=O)O
Isomeric Smiles
c1c(cccc1[N+](=O)[O-])C(=O)Nc1cc(ccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9185348
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.0748626
LogD (pH = 7.4)
-0.54121935
Log P
2.6626978
Molar Refractivity
76.1724
Polarizability
27.209953
Polar Surface Area
112.22
Rotatable Bonds
4
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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