Molecule

ID:53353

General Information
Structure
Molecular Formula
C₁₅H₁₆N₂O₄
Molecular Mass
288.29854
Exact Mass
288.111007
Charge
0
InChI
InChI=1S/C15H16N2O4/c1-4-8-17-13-10(7-6-9(3)16-13)12(18)11(14(17)19)15(20)21-5-2/h4,6-7,18H,1,5,8H2,2-3H3
InChIKey
CMZZZWGLBZFQHK-UHFFFAOYSA-N
Canonic Smiles
C=CCn1c(=O)c(C(=O)OCC)c(c2c1nc(C)cc2)O
Isomeric Smiles
c1c(nc2c(c1)c(O)c(c(=O)n2CC=C)C(=O)OCC)C
Calculated Properties
JChem
Acid pKa
5.160353
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.7511374
LogD (pH = 7.4)
-0.886128
Log P
1.2703451
Molar Refractivity
77.7902
Polarizability
29.241718
Polar Surface Area
79.73
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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