Molecule

ID:54075

General Information
Structure
Molecular Formula
C₁₄H₁₆N₂O₄
Molecular Mass
276.28784
Exact Mass
276.111007
Charge
0
InChI
InChI=1S/C14H16N2O4/c1-18-13(17)11-9-15-16(10-7-5-4-6-8-10)12(11)14(19-2)20-3/h4-9,14H,1-3H3
InChIKey
XPYDNOMIKFRCIG-UHFFFAOYSA-N
Canonic Smiles
COC(c1c(cnn1c1ccccc1)C(=O)OC)OC
Isomeric Smiles
n1(c(c(cn1)C(=O)OC)C(OC)OC)c1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.1372201
LogD (pH = 7.4)
2.1372216
Log P
2.1372218
Molar Refractivity
73.6707
Polarizability
28.748169
Polar Surface Area
62.58
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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