Molecule

ID:29277

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₁NO₂
Molecular Mass
341.48704
Exact Mass
341.23547924
Charge
0
InChI
InChI=1S/C22H31NO2/c1-4-5-6-7-16-24-21-13-11-20(12-14-21)23-15-17-25-22-18(2)9-8-10-19(22)3/h8-14,23H,4-7,15-17H2,1-3H3
InChIKey
MVYFMGMDJRYBEF-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOc1ccc(cc1)NCCOc1c(C)cccc1C
Isomeric Smiles
c1(c(cccc1C)C)OCCNc1ccc(cc1)OCCCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.0023007
LogD (pH = 7.4)
6.169667
Log P
6.1722813
Molar Refractivity
106.4252
Polarizability
40.709343
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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