Molecule

ID:56189

General Information
Structure
MolImage
Molecular Formula
C₁₅H₈N₂O₆
Molecular Mass
312.23382
Exact Mass
312.03823599
Charge
0
InChI
InChI=1S/C15H8N2O6/c18-13-11-6-1-8(15(20)21)7-12(11)14(19)16(13)9-2-4-10(5-3-9)17(22)23/h1-7H,(H,20,21)
InChIKey
ZQQMHXVUPKKVJQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
c1c(ccc(c1)N1C(=O)c2c(C1=O)ccc(c2)C(=O)O)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
3.4905255
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
0.17184135
LogD (pH = 7.4)
-1.2055691
Log P
2.1726246
Molar Refractivity
78.57
Polarizability
28.440374
Polar Surface Area
120.5
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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