Molecule

ID:60126

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀N₂O₄
Molecular Mass
282.2509
Exact Mass
282.06405681
Charge
0
InChI
InChI=1S/C15H10N2O4/c18-14-12-3-1-2-4-13(12)15(19)16(14)9-10-5-7-11(8-6-10)17(20)21/h1-8H,9H2
InChIKey
QKWWUOQTLINZES-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(cc1)CN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
c1c(ccc(c1)CN1C(=O)c2c(C1=O)cccc2)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.5815563
LogD (pH = 7.4)
2.5815563
Log P
2.5815563
Molar Refractivity
76.1488
Polarizability
27.474058
Polar Surface Area
83.2
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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