Molecule
ID:119463
General Information
Molecular Formula
C₁₉H₁₈N₂O₅
Molecular Mass
354.35662
Exact Mass
354.12157169
Charge
0
InChI
InChI=1S/C19H18N2O5/c1-11-18(12-3-5-13(24-2)6-4-12)19(23)15-8-7-14(9-16(15)26-11)25-10-17(22)21-20/h3-9H,10,20H2,1-2H3,(H,21,22)
InChIKey
GCIHISWUSKHZOG-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)COc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)OC)C
Isomeric Smiles
c1(c(=O)c2c(oc1C)cc(OCC(=O)NN)cc2)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
11.512674
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
1.5979676
LogD (pH = 7.4)
1.5988221
Log P
1.5988635
Molar Refractivity
96.8766
Polarizability
36.63904
Polar Surface Area
99.88
Rotatable Bonds
5
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
No Data Available
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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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