Molecule

ID:35836

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₅
Molecular Mass
292.28724
Exact Mass
292.10592162
Charge
0
InChI
InChI=1S/C14H16N2O5/c1-4-20-14(17)11-12(16-21-13(11)15)8-5-6-9(18-2)10(7-8)19-3/h5-7H,4,15H2,1-3H3
InChIKey
ZLOCURQSXNLTJH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(N)onc1c1ccc(c(c1)OC)OC
Isomeric Smiles
c1(c(noc1N)c1cc(c(cc1)OC)OC)C(=O)OCC
Calculated Properties
JChem
Acid pKa
13.058828
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
2.326164
LogD (pH = 7.4)
2.3261733
Log P
2.3261743
Molar Refractivity
75.9182
Polarizability
29.738995
Polar Surface Area
96.81
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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