Molecule

ID:29343

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₃NO
Molecular Mass
303.48212
Exact Mass
303.25621468
Charge
0
InChI
InChI=1S/C20H33NO/c1-2-3-4-5-9-16-22-20-14-12-19(13-15-20)21-17-18-10-7-6-8-11-18/h12-15,18,21H,2-11,16-17H2,1H3
InChIKey
UWFZNEDLGVXRHQ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCOc1ccc(cc1)NCC1CCCCC1
Isomeric Smiles
N(c1ccc(cc1)OCCCCCCC)CC1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.2670097
LogD (pH = 7.4)
6.032252
Log P
6.0602407
Molar Refractivity
96.1366
Polarizability
37.239105
Polar Surface Area
21.26
Rotatable Bonds
10
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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