Molecule

ID:53356

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₅
Molecular Mass
306.31382
Exact Mass
306.12157169
Charge
0
InChI
InChI=1S/C15H18N2O5/c1-4-22-15(20)11-12(18)10-6-5-9(2)16-13(10)17(14(11)19)7-8-21-3/h5-6,18H,4,7-8H2,1-3H3
InChIKey
RKGBUENNCVTCPB-UHFFFAOYSA-N
Canonic Smiles
COCCn1c(=O)c(C(=O)OCC)c(c2c1nc(C)cc2)O
Isomeric Smiles
c1c(nc2c(c1)c(O)c(c(=O)n2CCOC)C(=O)OCC)C
Calculated Properties
JChem
Acid pKa
5.1290827
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.04989229
LogD (pH = 7.4)
-1.6896094
Log P
0.4921197
Molar Refractivity
79.671
Polarizability
30.220089
Polar Surface Area
88.96
Rotatable Bonds
6
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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