Molecule

ID:29662

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₉NO₂
Molecular Mass
279.41766
Exact Mass
279.21982917
Charge
0
InChI
InChI=1S/C17H29NO2/c1-14(13-18-11-6-12-19-5)20-16-9-7-15(8-10-16)17(2,3)4/h7-10,14,18H,6,11-13H2,1-5H3
InChIKey
XGDVYWILSGQFFT-UHFFFAOYSA-N
Canonic Smiles
COCCCNCC(Oc1ccc(cc1)C(C)(C)C)C
Isomeric Smiles
C(c1ccc(OC(CNCCCOC)C)cc1)(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.22841428
LogD (pH = 7.4)
1.1641891
Log P
3.4257867
Molar Refractivity
84.2392
Polarizability
33.418247
Polar Surface Area
30.49
Rotatable Bonds
9
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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