Molecule

ID:79959

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀N₂O₂
Molecular Mass
226.2307
Exact Mass
226.07422757
Charge
0
InChI
InChI=1S/C13H10N2O2/c1-14-12-5-3-2-4-10(12)11-8-9(15(16)17)6-7-13(11)14/h2-8H,1H3
InChIKey
LUWUTJWWCMXMSA-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc2c(c1)c1ccccc1n2C
Isomeric Smiles
n1(c2c(cc(cc2)[N+](=O)[O-])c2ccccc12)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.254546
LogD (pH = 7.4)
3.254546
Log P
3.254546
Molar Refractivity
65.6936
Polarizability
26.696548
Polar Surface Area
50.75
Rotatable Bonds
1
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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