Molecule

ID:22882

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O₃
Molecular Mass
300.3523
Exact Mass
300.14739251
Charge
0
InChI
InChI=1S/C17H20N2O3/c1-3-10-22-15-7-5-4-6-13(15)17(20)19-14-11-12(18)8-9-16(14)21-2/h4-9,11H,3,10,18H2,1-2H3,(H,19,20)
InChIKey
XEBMMNBHQVVTMG-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccccc1C(=O)Nc1cc(N)ccc1OC
Isomeric Smiles
C(=O)(c1c(OCCC)cccc1)Nc1cc(N)ccc1OC
Calculated Properties
JChem
Acid pKa
11.632038
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.7540624
LogD (pH = 7.4)
2.7995524
Log P
2.8001926
Molar Refractivity
88.4909
Polarizability
32.795513
Polar Surface Area
73.58
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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