Molecule

ID:28834

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO
Molecular Mass
221.33852
Exact Mass
221.17796436
Charge
0
InChI
InChI=1S/C14H23NO/c1-3-4-5-6-7-11-16-14-10-8-9-13(12-14)15-2/h8-10,12,15H,3-7,11H2,1-2H3
InChIKey
OHAHFVKSRNRRGV-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCOc1cccc(c1)NC
Isomeric Smiles
c1c(NC)cccc1OCCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.9229884
LogD (pH = 7.4)
3.9456608
Log P
3.9459577
Molar Refractivity
70.3916
Polarizability
26.902287
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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