Molecule

ID:14424

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆N₂O₄
Molecular Mass
336.34134
Exact Mass
336.111007
Charge
0
InChI
InChI=1S/C19H16N2O4/c22-19(23)14-8-12-11-3-1-2-4-13(11)20-18(12)17(21-14)10-5-6-15-16(7-10)25-9-24-15/h1-7,14,17,20-21H,8-9H2,(H,22,23)
InChIKey
MDXJJOKTGDJRNN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1NC(c2ccc3c(c2)OCO3)c2c(C1)c1ccccc1[nH]2
Isomeric Smiles
c12c(c3c([nH]2)cccc3)CC(NC1c1cc2c(cc1)OCO2)C(=O)O
Calculated Properties
JChem
Acid pKa
1.4339949
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
0.22101648
LogD (pH = 7.4)
0.15897763
Log P
0.2215401
Molar Refractivity
89.4592
Polarizability
36.2485
Polar Surface Area
83.58
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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