Molecule

ID:29278

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃NO₂
Molecular Mass
273.37002
Exact Mass
273.17287898
Charge
0
InChI
InChI=1S/C17H23NO2/c1-2-3-4-5-12-19-16-10-8-15(9-11-16)18-14-17-7-6-13-20-17/h6-11,13,18H,2-5,12,14H2,1H3
InChIKey
AXLVBMJNAWAXEH-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOc1ccc(cc1)NCc1ccco1
Isomeric Smiles
c1(occc1)CNc1ccc(cc1)OCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.2666807
LogD (pH = 7.4)
4.2858586
Log P
4.286109
Molar Refractivity
82.7941
Polarizability
31.494469
Polar Surface Area
34.4
Rotatable Bonds
9
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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