Molecule

ID:84766

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃NO₂
Molecular Mass
261.35932
Exact Mass
261.17287898
Charge
0
InChI
InChI=1S/C16H23NO2/c1-13(14-5-3-2-4-6-14)17-15-7-9-16(10-8-15)18-11-12-19-16/h2-6,13,15,17H,7-12H2,1H3/t13-/m0/s1
InChIKey
RLDOTEXAQXQZQL-ZDUSSCGKSA-N
Canonic Smiles
C[C@@H](c1ccccc1)NC1CCC2(CC1)OCCO2
Isomeric Smiles
N(C1CCC2(OCCO2)CC1)[C@H](c1ccccc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.3983132
LogD (pH = 7.4)
0.17205922
Log P
2.8283627
Molar Refractivity
75.63
Polarizability
30.198387
Polar Surface Area
30.49
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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