Molecule

ID:28903

General Information
Structure
MolImage
Molecular Formula
C₂₉H₅₃NO
Molecular Mass
431.73722
Exact Mass
431.41271532
Charge
0
InChI
InChI=1S/C29H53NO/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-25-30-27-28-21-23-29(24-22-28)31-26-20-8-6-4-2/h21-24,30H,3-20,25-27H2,1-2H3
InChIKey
HVEWAUOCLGUZSK-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCNCc1ccc(cc1)OCCCCCC
Isomeric Smiles
c1(ccc(cc1)CNCCCCCCCCCCCCCCCC)OCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
7.037332
LogD (pH = 7.4)
7.871734
Log P
10.245683
Molar Refractivity
137.9304
Polarizability
55.000675
Polar Surface Area
21.26
Rotatable Bonds
23
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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