Molecule

ID:32480

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂O₄
Molecular Mass
272.25608
Exact Mass
272.07970687
Charge
0
InChI
InChI=1S/C14H12N2O4/c1-20-11-8-15-7-10(12(11)14(18)19)13(17)16-9-5-3-2-4-6-9/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKey
SIYISUPHWCIBIW-UHFFFAOYSA-N
Canonic Smiles
COc1cncc(c1C(=O)O)C(=O)Nc1ccccc1
Isomeric Smiles
c1(cncc(c1C(=O)O)C(=O)Nc1ccccc1)OC
Calculated Properties
JChem
Acid pKa
4.172194
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
8.661641E-4
LogD (pH = 7.4)
-1.7057984
Log P
1.3473698
Molar Refractivity
73.154
Polarizability
26.939518
Polar Surface Area
88.52
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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