Molecule

ID:124285

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂O₄
Molecular Mass
246.2188
Exact Mass
246.06405681
Charge
0
InChI
InChI=1S/C12H10N2O4/c15-11-9(12(16)17)6-13-10(14-11)7-18-8-4-2-1-3-5-8/h1-6H,7H2,(H,16,17)(H,13,14,15)
InChIKey
HGFAMXXFTBIGOY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cnc([nH]c1=O)COc1ccccc1
Isomeric Smiles
c1(c(=O)[nH]c(nc1)COc1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4174707
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.4758059
LogD (pH = 7.4)
-2.8034284
Log P
0.59506273
Molar Refractivity
61.3861
Polarizability
23.609331
Polar Surface Area
87.99
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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