Molecule

ID:109981

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄N₂O₄
Molecular Mass
298.29336
Exact Mass
298.09535694
Charge
0
InChI
InChI=1S/C16H14N2O4/c1-9-5-3-7-11(15(19)20)13(9)17-18-14-10(2)6-4-8-12(14)16(21)22/h3-8H,1-2H3,(H,19,20)(H,21,22)
InChIKey
JVXRFAGAOIHEDY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(c1/N=N/c1c(C)cccc1C(=O)O)C
Isomeric Smiles
Cc1c(/N=N/c2c(C)cccc2C(=O)O)c(ccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.0635512
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
0.47854513
LogD (pH = 7.4)
-2.1019564
Log P
4.721148
Molar Refractivity
84.9718
Polarizability
29.792025
Polar Surface Area
99.32
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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