Molecule

ID:58648

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂N₂O₃
Molecular Mass
290.35748
Exact Mass
290.16304257
Charge
0
InChI
InChI=1S/C16H22N2O3/c1-16(2,3)21-15(19)17-8-7-11-10-18-14-6-5-12(20-4)9-13(11)14/h5-6,9-10,18H,7-8H2,1-4H3,(H,17,19)
InChIKey
WAHZSIBAJJNUBF-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)c(CCNC(=O)OC(C)(C)C)c[nH]2
Isomeric Smiles
c1(ccc2c(c1)c(c[nH]2)CCNC(=O)OC(C)(C)C)OC
Calculated Properties
JChem
Acid pKa
15.482599
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.8208635
LogD (pH = 7.4)
2.8208635
Log P
2.8208635
Molar Refractivity
81.7091
Polarizability
32.83561
Polar Surface Area
63.35
Rotatable Bonds
6
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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