Molecule

ID:58650

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂O₄
Molecular Mass
246.2188
Exact Mass
246.06405681
Charge
0
InChI
InChI=1S/C12H10N2O4/c13-10(9-8(15)6-18-12(9)17)14-11(16)7-4-2-1-3-5-7/h1-5H,6,13H2,(H,14,16)/b10-9-
InChIKey
AQOIMXIOTHEEEL-KTKRTIGZSA-N
Canonic Smiles
O=C(c1ccccc1)N/C(=C\1/C(=O)COC1=O)/N
Isomeric Smiles
C1OC(=O)/C(=C(\NC(=O)c2ccccc2)/N)/C1=O
Calculated Properties
JChem
Acid pKa
10.212551
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.6157834
LogD (pH = 7.4)
0.6160219
Log P
0.61670065
Molar Refractivity
71.8123
Polarizability
23.458351
Polar Surface Area
98.49
Rotatable Bonds
2
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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