Molecule

ID:60562

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃NO₂
Molecular Mass
249.34862
Exact Mass
249.17287898
Charge
0
InChI
InChI=1S/C15H23NO2/c1-3-5-8-12(4-2)11-16-15(18)13-9-6-7-10-14(13)17/h6-7,9-10,12,17H,3-5,8,11H2,1-2H3,(H,16,18)
InChIKey
DOMCZOJLIRYAJT-UHFFFAOYSA-N
Canonic Smiles
CCCCC(CNC(=O)c1ccccc1O)CC
Isomeric Smiles
c1(C(=O)NCC(CC)CCCC)c(O)cccc1
Calculated Properties
JChem
Acid pKa
8.193484
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.415702
LogD (pH = 7.4)
4.3522854
Log P
4.4165745
Molar Refractivity
74.1622
Polarizability
28.497162
Polar Surface Area
49.33
Rotatable Bonds
7
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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