Molecule

ID:43201

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃NO₂
Molecular Mass
261.35932
Exact Mass
261.17287898
Charge
0
InChI
InChI=1S/C16H23NO2/c1-4-19-15(18)13-5-7-14(8-6-13)17-11-9-16(2,3)10-12-17/h5-8H,4,9-12H2,1-3H3
InChIKey
NXQBRXZLDJYLMH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)N1CCC(CC1)(C)C
Isomeric Smiles
N1(c2ccc(C(=O)OCC)cc2)CCC(CC1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8750868
LogD (pH = 7.4)
3.8789573
Log P
3.8790069
Molar Refractivity
78.4262
Polarizability
29.88978
Polar Surface Area
29.54
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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