Molecule

ID:28923

General Information
Structure
MolImage
Molecular Formula
C₃₁H₄₉NO₂
Molecular Mass
467.72626
Exact Mass
467.37632981
Charge
0
InChI
InChI=1S/C31H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24-32-28-29-20-19-23-31(27-29)34-26-25-33-30-21-16-15-17-22-30/h15-17,19-23,27,32H,2-14,18,24-26,28H2,1H3
InChIKey
MTUJSYHSQVTGQZ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCNCc1cccc(c1)OCCOc1ccccc1
Isomeric Smiles
c1c(OCCOc2ccccc2)cccc1CNCCCCCCCCCCCCCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.4739056
LogD (pH = 7.4)
7.362951
Log P
9.676696
Molar Refractivity
145.407
Polarizability
57.881638
Polar Surface Area
30.49
Rotatable Bonds
22
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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