Molecule

ID:44242

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈N₂O₅
Molecular Mass
248.19162
Exact Mass
248.04332137
Charge
0
InChI
InChI=1S/C11H8N2O5/c1-18-9-3-2-7(13(16)17)6-8(9)12-10(14)4-5-11(12)15/h2-6H,1H3
InChIKey
RQSBMFYAHQPZGS-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1N1C(=O)C=CC1=O)[N+](=O)[O-]
Isomeric Smiles
c1c(c(ccc1[N+](=O)[O-])OC)N1C(=O)C=CC1=O
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.0280439
LogD (pH = 7.4)
1.0280445
Log P
1.0280445
Molar Refractivity
61.8136
Polarizability
22.51726
Polar Surface Area
92.43
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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