Molecule

ID:53349

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₄
Molecular Mass
290.31442
Exact Mass
290.12665707
Charge
0
InChI
InChI=1S/C15H18N2O4/c1-5-21-15(20)11-12(18)10-7-6-9(4)16-13(10)17(8(2)3)14(11)19/h6-8,18H,5H2,1-4H3
InChIKey
BKYCVWGJUUJTHM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(O)c2ccc(nc2n(c1=O)C(C)C)C
Isomeric Smiles
c1c(nc2c(c1)c(O)c(c(=O)n2C(C)C)C(=O)OCC)C
Calculated Properties
JChem
Acid pKa
5.1940365
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.8169003
LogD (pH = 7.4)
-0.8166681
Log P
1.3124782
Molar Refractivity
77.7949
Polarizability
29.488754
Polar Surface Area
79.73
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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