Molecule

ID:113248

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₆N₂O₄
Molecular Mass
348.35204
Exact Mass
348.111007
Charge
0
InChI
InChI=1S/C20H16N2O4/c1-26-14-7-6-12-10-13(18(23)21-17(12)11-14)8-9-22-19(24)15-4-2-3-5-16(15)20(22)25/h2-7,10-11H,8-9H2,1H3,(H,21,23)
InChIKey
LWRQZGYFWBEOGR-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)[nH]c(=O)c(c2)CCN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
N1(C(=O)c2c(C1=O)cccc2)CCc1c(=O)[nH]c2c(c1)ccc(c2)OC
Calculated Properties
JChem
Acid pKa
13.324102
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.2785878
LogD (pH = 7.4)
2.2785873
Log P
2.2785878
Molar Refractivity
98.5794
Polarizability
35.76472
Polar Surface Area
75.71
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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