Molecule

ID:43052

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO
Molecular Mass
221.33852
Exact Mass
221.17796436
Charge
0
InChI
InChI=1S/C14H23NO/c1-5-11(2)8-12-6-7-14(16)13(9-12)10-15(3)4/h6-7,9,11,16H,5,8,10H2,1-4H3
InChIKey
SELKCQLXIPQGQQ-UHFFFAOYSA-N
Canonic Smiles
CCC(Cc1ccc(c(c1)CN(C)C)O)C
Isomeric Smiles
c1(c(ccc(c1)CC(CC)C)O)CN(C)C
Calculated Properties
JChem
Acid pKa
8.510211
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.49416384
LogD (pH = 7.4)
2.0110667
Log P
2.9617753
Molar Refractivity
69.9744
Polarizability
27.142069
Polar Surface Area
23.47
Rotatable Bonds
5
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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