Molecule

ID:23456

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O₃
Molecular Mass
300.3523
Exact Mass
300.14739251
Charge
0
InChI
InChI=1S/C17H20N2O3/c1-2-21-10-11-22-16-9-4-3-8-15(16)17(20)19-14-7-5-6-13(18)12-14/h3-9,12H,2,10-11,18H2,1H3,(H,19,20)
InChIKey
AQMACSLHSZWGLM-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1ccccc1C(=O)Nc1cccc(c1)N
Isomeric Smiles
C(=O)(c1c(OCCOCC)cccc1)Nc1cc(N)ccc1
Calculated Properties
JChem
Acid pKa
12.5045805
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.3800278
LogD (pH = 7.4)
2.3882565
Log P
2.3883657
Molar Refractivity
88.5472
Polarizability
32.811596
Polar Surface Area
73.58
Rotatable Bonds
7
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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