Molecule

ID:33154

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₄
Molecular Mass
276.28784
Exact Mass
276.111007
Charge
0
InChI
InChI=1S/C14H16N2O4/c1-19-10-4-5-12-11(7-10)15-14(20-12)16-6-2-3-9(8-16)13(17)18/h4-5,7,9H,2-3,6,8H2,1H3,(H,17,18)
InChIKey
UKQPRBNJAGUDNL-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)nc(o2)N1CCCC(C1)C(=O)O
Isomeric Smiles
c1(nc2c(o1)ccc(c2)OC)N1CC(C(=O)O)CCC1
Calculated Properties
JChem
Acid pKa
4.299023
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.95778114
LogD (pH = 7.4)
-0.7803939
Log P
2.183506
Molar Refractivity
71.3161
Polarizability
28.331085
Polar Surface Area
75.8
Rotatable Bonds
3
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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