Molecule

ID:78661

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₃NO₃
Molecular Mass
303.31142
Exact Mass
303.08954328
Charge
0
InChI
InChI=1S/C19H13NO3/c21-19(16-8-11-17(12-9-16)20(22)23)13-10-15-6-3-5-14-4-1-2-7-18(14)15/h1-13H
InChIKey
FQWBVMFYEFHWJQ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1cccc2c1cccc2
Isomeric Smiles
[N+](=O)(c1ccc(cc1)C(=O)/C=C/c1c2c(ccc1)cccc2)[O-]
Calculated Properties
JChem
Acid pKa
16.219236
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.819786
LogD (pH = 7.4)
4.819786
Log P
4.819786
Molar Refractivity
90.6519
Polarizability
34.71461
Polar Surface Area
62.89
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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