Molecule

ID:41243

General Information
Structure
Molecular Formula
C₁₂H₁₀N₂O₃
Molecular Mass
230.2194
Exact Mass
230.06914219
Charge
0
InChI
InChI=1S/C12H10N2O3/c1-17-11-5-2-9(3-6-11)12-7-4-10(8-13-12)14(15)16/h2-8H,1H3
InChIKey
AQFGZIXPQOUSHT-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1ccc(cn1)[N+](=O)[O-]
Isomeric Smiles
c1(cnc(cc1)c1ccc(cc1)OC)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.5709572
LogD (pH = 7.4)
2.570962
Log P
2.570962
Molar Refractivity
62.4532
Polarizability
24.751541
Polar Surface Area
67.94
Rotatable Bonds
3
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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