Molecule

ID:20738

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃NO₂
Molecular Mass
249.34862
Exact Mass
249.17287898
Charge
0
InChI
InChI=1S/C15H23NO2/c1-17-15-4-2-13(3-5-15)8-11-18-12-14-6-9-16-10-7-14/h2-5,14,16H,6-12H2,1H3
InChIKey
AHFZAGPBQQAPLI-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CCOCC1CCNCC1
Isomeric Smiles
N1CCC(COCCc2ccc(cc2)OC)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.14705
LogD (pH = 7.4)
-0.6862955
Log P
2.0843713
Molar Refractivity
73.8177
Polarizability
28.99409
Polar Surface Area
30.49
Rotatable Bonds
6
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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