Molecule

ID:28694

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₁NO
Molecular Mass
325.48764
Exact Mass
325.24056462
Charge
0
InChI
InChI=1S/C22H31NO/c1-2-3-4-5-6-10-17-23-21-14-11-15-22(19-21)24-18-16-20-12-8-7-9-13-20/h7-9,11-15,19,23H,2-6,10,16-18H2,1H3
InChIKey
FDXWOFJFDKSMPR-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCNc1cccc(c1)OCCc1ccccc1
Isomeric Smiles
c1c(NCCCCCCCC)cccc1OCCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.367977
LogD (pH = 7.4)
6.4031925
Log P
6.403661
Molar Refractivity
104.3602
Polarizability
40.149128
Polar Surface Area
21.26
Rotatable Bonds
12
Lipinski's Rule of Five
false
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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