Molecule

ID:28962

General Information
Structure
MolImage
Molecular Formula
C₂₆H₄₇NO
Molecular Mass
389.65748
Exact Mass
389.36576513
Charge
0
InChI
InChI=1S/C26H47NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-23-25-19-18-20-26(22-25)28-24(2)3/h18-20,22,24,27H,4-17,21,23H2,1-3H3
InChIKey
VHONFOJLJLCJGK-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCNCc1cccc(c1)OC(C)C
Isomeric Smiles
c1(OC(C)C)cc(CNCCCCCCCCCCCCCCCC)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.6032705
LogD (pH = 7.4)
6.4926047
Log P
8.806029
Molar Refractivity
124.0222
Polarizability
49.45981
Polar Surface Area
21.26
Rotatable Bonds
19
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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