Molecule

ID:82081

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁NO₄
Molecular Mass
269.25214
Exact Mass
269.06880784
Charge
0
InChI
InChI=1S/C15H11NO4/c17-14-4-2-1-3-13(14)15(18)10-7-11-5-8-12(9-6-11)16(19)20/h1-10,17H
InChIKey
IKXNPABBUOFKCC-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1O)/C=C/c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccc(cc1)/C=C/C(=O)c1ccccc1O)[O-]
Calculated Properties
JChem
Acid pKa
8.194452
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.1758738
LogD (pH = 7.4)
4.112588
Log P
4.176744
Molar Refractivity
76.1826
Polarizability
27.799915
Polar Surface Area
83.12
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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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