Molecule

ID:23002

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O₃
Molecular Mass
300.3523
Exact Mass
300.14739251
Charge
0
InChI
InChI=1S/C17H20N2O3/c1-12-15(18)4-3-5-16(12)19-17(20)13-6-8-14(9-7-13)22-11-10-21-2/h3-9H,10-11,18H2,1-2H3,(H,19,20)
InChIKey
LBMCWSLUIKWKKQ-UHFFFAOYSA-N
Canonic Smiles
COCCOc1ccc(cc1)C(=O)Nc1cccc(c1C)N
Isomeric Smiles
C(=O)(Nc1c(c(N)ccc1)C)c1ccc(cc1)OCCOC
Calculated Properties
JChem
Acid pKa
13.213265
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.5383215
LogD (pH = 7.4)
2.5448942
Log P
2.5449793
Molar Refractivity
88.8398
Polarizability
32.732582
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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