Molecule

ID:86289

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂O₃
Molecular Mass
230.2194
Exact Mass
230.06914219
Charge
0
InChI
InChI=1S/C12H10N2O3/c1-9-4-5-11(12(7-9)14(16)17)13-6-2-3-10(13)8-15/h2-8H,1H3
InChIKey
UQPLLQQLQYZFNX-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccn1c1ccc(cc1[N+](=O)[O-])C
Isomeric Smiles
[N+](=O)(c1cc(ccc1n1c(ccc1)C=O)C)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4223
LogD (pH = 7.4)
2.4223
Log P
2.4223
Molar Refractivity
74.6378
Polarizability
23.842628
Polar Surface Area
67.82
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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