Molecule
ID:119237
General Information
Molecular Formula
C₂₀H₁₈N₂O₄
Molecular Mass
350.36792
Exact Mass
350.12665707
Charge
0
InChI
InChI=1S/C20H18N2O4/c23-18(24)14-21-20(26)17(13-7-10-15-8-3-1-4-9-15)22-19(25)16-11-5-2-6-12-16/h1-13H,14H2,(H,21,26)(H,22,25)(H,23,24)/b10-7+,17-13+
InChIKey
GTRXDLWUVNCUFR-UVZCHINQSA-N
Canonic Smiles
OC(=O)CNC(=O)/C(=C\C=C\c1ccccc1)/NC(=O)c1ccccc1
Isomeric Smiles
C(=O)(N/C(=C/C=C/c1ccccc1)/C(=O)NCC(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.4920225
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.075577684
LogD (pH = 7.4)
-1.3026371
Log P
2.075201
Molar Refractivity
99.9212
Polarizability
36.960438
Polar Surface Area
95.5
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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