Molecule

ID:29057

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₇NO₂
Molecular Mass
277.40178
Exact Mass
277.20417911
Charge
0
InChI
InChI=1S/C17H27NO2/c1-14(2)9-11-20-16-7-5-15(6-8-16)12-18-13-17-4-3-10-19-17/h5-8,14,17-18H,3-4,9-13H2,1-2H3
InChIKey
GFZGMVKBJPALNA-UHFFFAOYSA-N
Canonic Smiles
CC(CCOc1ccc(cc1)CNCC1CCCO1)C
Isomeric Smiles
O1C(CNCc2ccc(cc2)OCCC(C)C)CCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.29130456
LogD (pH = 7.4)
1.6126741
Log P
3.4034305
Molar Refractivity
82.4461
Polarizability
32.75997
Polar Surface Area
30.49
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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