Molecule

ID:124254

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O₅
Molecular Mass
290.27136
Exact Mass
290.09027156
Charge
0
InChI
InChI=1S/C14H14N2O5/c1-20-11-5-3-9(7-12(11)21-2)10-4-6-13(17)16(15-10)8-14(18)19/h3-7H,8H2,1-2H3,(H,18,19)
InChIKey
ZXEJRJJZHPQWBL-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1OC)c1ccc(=O)n(n1)CC(=O)O
Isomeric Smiles
n1(nc(ccc1=O)c1cc(c(cc1)OC)OC)CC(=O)O
Calculated Properties
JChem
Acid pKa
2.9966736
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-1.7194097
LogD (pH = 7.4)
-2.7287862
Log P
0.7461994
Molar Refractivity
74.6111
Polarizability
27.974163
Polar Surface Area
88.43
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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