Molecule

ID:15959

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O₂
Molecular Mass
216.23588
Exact Mass
216.08987763
Charge
0
InChI
InChI=1S/C12H12N2O2/c1-9-3-4-10(2)13(9)11-5-7-12(8-6-11)14(15)16/h3-8H,1-2H3
InChIKey
JXJRCFOGAIXRCU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(n1c1ccc(cc1)[N+](=O)[O-])C
Isomeric Smiles
n1(c(ccc1C)C)c1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2738712
LogD (pH = 7.4)
3.2738712
Log P
3.2738712
Molar Refractivity
72.4303
Polarizability
23.69066
Polar Surface Area
48.07
Rotatable Bonds
2
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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