Molecule

ID:29044

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO
Molecular Mass
221.33852
Exact Mass
221.17796436
Charge
0
InChI
InChI=1S/C14H23NO/c1-3-5-10-15-11-12-16-14-8-6-13(4-2)7-9-14/h6-9,15H,3-5,10-12H2,1-2H3
InChIKey
OSFPAYTZJBHUIN-UHFFFAOYSA-N
Canonic Smiles
CCCCNCCOc1ccc(cc1)CC
Isomeric Smiles
c1(ccc(cc1)CC)OCCNCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.53101134
LogD (pH = 7.4)
1.4267982
Log P
3.7330601
Molar Refractivity
68.7614
Polarizability
27.221634
Polar Surface Area
21.26
Rotatable Bonds
8
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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