Molecule

ID:60334

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁N₃O₄
Molecular Mass
261.23344
Exact Mass
261.07495585
Charge
0
InChI
InChI=1S/C12H11N3O4/c1-9-6-12(15(17)18)13-14(9)8-19-11-5-3-2-4-10(11)7-16/h2-7H,8H2,1H3
InChIKey
JKMWXLCZCZDDID-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1OCn1nc(cc1C)[N+](=O)[O-]
Isomeric Smiles
c1cc(c(cc1)C=O)OCn1c(cc(n1)[N+](=O)[O-])C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.6017618
LogD (pH = 7.4)
2.6017618
Log P
2.6017618
Molar Refractivity
79.695
Polarizability
24.878218
Polar Surface Area
89.94
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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