Molecule

ID:88379

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O₄
Molecular Mass
274.27196
Exact Mass
274.09535694
Charge
0
InChI
InChI=1S/C14H14N2O4/c1-18-11-8-12(19-2)16-13(15-11)9-4-6-10(7-5-9)14(17)20-3/h4-8H,1-3H3
InChIKey
RYULXWYYHDHCCA-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)nc(n1)c1ccc(cc1)C(=O)OC
Isomeric Smiles
n1c(nc(cc1OC)OC)c1ccc(cc1)C(=O)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.3133602
LogD (pH = 7.4)
3.314104
Log P
3.3141136
Molar Refractivity
83.7121
Polarizability
28.293316
Polar Surface Area
70.54
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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