Molecule

ID:28705

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₁NO₂
Molecular Mass
341.48704
Exact Mass
341.23547924
Charge
0
InChI
InChI=1S/C22H31NO2/c1-4-5-6-11-16-24-21-14-9-7-12-19(21)17-23-20-13-8-10-15-22(20)25-18(2)3/h7-10,12-15,18,23H,4-6,11,16-17H2,1-3H3
InChIKey
KOJMUENIBIZJRF-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOc1ccccc1CNc1ccccc1OC(C)C
Isomeric Smiles
N(c1c(OC(C)C)cccc1)Cc1c(OCCCCCC)cccc1
Calculated Properties
JChem
Acid pKa
18.794561
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.822997
LogD (pH = 7.4)
5.841335
Log P
5.8415737
Molar Refractivity
106.0338
Polarizability
40.86383
Polar Surface Area
30.49
Rotatable Bonds
11
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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