Molecule

ID:42289

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-9-4-5-10(11(8-9)13(14)15)12-6-2-3-7-12/h2-8H,1H3
InChIKey
DFPKHCCZVFEALB-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)[N+](=O)[O-])n1cccc1
Isomeric Smiles
c1c(cc(c(c1)n1cccc1)[N+](=O)[O-])C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9826
LogD (pH = 7.4)
2.9826
Log P
2.9826
Molar Refractivity
68.1763
Polarizability
21.935665
Polar Surface Area
50.75
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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