Molecule

ID:103253

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O₃
Molecular Mass
300.3523
Exact Mass
300.14739251
Charge
0
InChI
InChI=1S/C17H20N2O3/c1-3-21-15-11-14(16(22-4-2)10-13(15)18)19-17(20)12-8-6-5-7-9-12/h5-11H,3-4,18H2,1-2H3,(H,19,20)
InChIKey
CNXZLZNEIYFZGU-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(N)c(cc1NC(=O)c1ccccc1)OCC
Isomeric Smiles
CCOc1c(N)cc(OCC)c(NC(=O)c2ccccc2)c1
Calculated Properties
JChem
Acid pKa
11.40626
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.629286
LogD (pH = 7.4)
2.6343715
Log P
2.634478
Molar Refractivity
88.7155
Polarizability
32.794186
Polar Surface Area
73.58
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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