Molecule

ID:89371

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₃
Molecular Mass
260.28844
Exact Mass
260.11609238
Charge
0
InChI
InChI=1S/C14H16N2O3/c1-9(17)15-6-5-11-8-16-14-4-3-12(7-13(11)14)19-10(2)18/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,17)
InChIKey
HTXAKOWTTUTRIK-UHFFFAOYSA-N
Canonic Smiles
CC(=O)NCCc1c[nH]c2c1cc(cc2)OC(=O)C
Isomeric Smiles
[nH]1c2c(cc(cc2)OC(=O)C)c(c1)CCNC(=O)C
Calculated Properties
JChem
Acid pKa
15.551743
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.91254485
LogD (pH = 7.4)
0.912545
Log P
0.912545
Molar Refractivity
70.9491
Polarizability
28.52521
Polar Surface Area
71.19
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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