Molecule

ID:29150

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO
Molecular Mass
221.33852
Exact Mass
221.17796436
Charge
0
InChI
InChI=1S/C14H23NO/c1-4-10-15-11-13(5-2)16-14-9-7-6-8-12(14)3/h6-9,13,15H,4-5,10-11H2,1-3H3
InChIKey
WEQQBBDQQHUERL-UHFFFAOYSA-N
Canonic Smiles
CCCNCC(Oc1ccccc1C)CC
Isomeric Smiles
c1(OC(CNCCC)CC)c(C)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.56935436
LogD (pH = 7.4)
1.3433006
Log P
3.7830203
Molar Refractivity
68.5022
Polarizability
27.223877
Polar Surface Area
21.26
Rotatable Bonds
7
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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