Molecule

ID:33732

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃NO₃
Molecular Mass
289.36942
Exact Mass
289.1677936
Charge
0
InChI
InChI=1S/C17H23NO3/c1-13-7-9-18(10-8-13)12-15-11-14(4-6-17(19)20)3-5-16(15)21-2/h3-6,11,13H,7-10,12H2,1-2H3,(H,19,20)/b6-4+
InChIKey
SBPKGFGDCGTJBI-GQCTYLIASA-N
Canonic Smiles
COc1ccc(cc1CN1CCC(CC1)C)/C=C/C(=O)O
Isomeric Smiles
c1(CN2CCC(CC2)C)c(ccc(/C=C/C(=O)O)c1)OC
Calculated Properties
JChem
Acid pKa
3.7697866
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.32207394
LogD (pH = 7.4)
0.31268266
Log P
0.32615325
Molar Refractivity
84.7564
Polarizability
32.39274
Polar Surface Area
49.77
Rotatable Bonds
5
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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