Molecule

ID:53384

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃N₃O₄
Molecular Mass
299.28142
Exact Mass
299.09060591
Charge
0
InChI
InChI=1S/C15H13N3O4/c1-21-8-7-18-13-11(14(19)22-15(18)20)9-16-12(17-13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKey
PVENCEDSKVTUAC-UHFFFAOYSA-N
Canonic Smiles
COCCn1c(=O)oc(=O)c2c1nc(nc2)c1ccccc1
Isomeric Smiles
n1c(nc2c(c1)c(=O)oc(=O)n2CCOC)c1ccccc1
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
2.2183437
LogD (pH = 7.4)
2.2183454
Log P
2.2183454
Molar Refractivity
88.3746
Polarizability
29.96756
Polar Surface Area
81.62
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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