Molecule

ID:57843

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂O₄
Molecular Mass
270.2402
Exact Mass
270.06405681
Charge
0
InChI
InChI=1S/C14H10N2O4/c17-13(18)9-1-5-11(6-2-9)15-16-12-7-3-10(4-8-12)14(19)20/h1-8H,(H,17,18)(H,19,20)/b16-15+
InChIKey
NWHZQELJCLSKNV-FOCLMDBBSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)/N=N/c1ccc(cc1)C(=O)O
Isomeric Smiles
c1cc(ccc1C(=O)O)/N=N/c1ccc(cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.6529634
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
0.5868536
LogD (pH = 7.4)
-2.6754432
Log P
3.6943054
Molar Refractivity
74.8894
Polarizability
26.269756
Polar Surface Area
99.32
Rotatable Bonds
4
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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