Molecule

ID:53387

General Information
Structure
Molecular Formula
C₁₉H₁₉N₃O₄
Molecular Mass
353.37186
Exact Mass
353.1375561
Charge
0
InChI
InChI=1S/C19H19N3O4/c1-4-26-19(25)14-15(23)13-10-20-16(12-8-6-5-7-9-12)21-17(13)22(11(2)3)18(14)24/h5-11,23H,4H2,1-3H3
InChIKey
IAMQQDSOLURRFM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(O)c2cnc(nc2n(c1=O)C(C)C)c1ccccc1
Isomeric Smiles
n1c(nc2c(c1)c(O)c(c(=O)n2C(C)C)C(=O)OCC)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.5494123
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.8823062
LogD (pH = 7.4)
0.7496232
Log P
2.8553107
Molar Refractivity
107.4357
Polarizability
37.078693
Polar Surface Area
92.62
Rotatable Bonds
5
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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