Molecule

ID:28874

General Information
Structure
Molecular Formula
C₂₆H₄₇NO
Molecular Mass
389.65748
Exact Mass
389.36576513
Charge
0
InChI
InChI=1S/C26H47NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-23-24-28-26-20-18-25(4-2)19-21-26/h18-21,27H,3-17,22-24H2,1-2H3
InChIKey
CORDSMIPZFSNSD-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCNCCOc1ccc(cc1)CC
Isomeric Smiles
c1(ccc(cc1)CC)OCCNCCCCCCCCCCCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.865872
LogD (pH = 7.4)
6.761987
Log P
9.067884
Molar Refractivity
123.9734
Polarizability
49.382584
Polar Surface Area
21.26
Rotatable Bonds
20
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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