Molecule

ID:29647

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₃NO₂
Molecular Mass
355.51362
Exact Mass
355.2511293
Charge
0
InChI
InChI=1S/C23H33NO2/c1-3-5-6-7-10-17-25-22-14-11-13-21(18-22)24-19-20-12-8-9-15-23(20)26-16-4-2/h8-9,11-15,18,24H,3-7,10,16-17,19H2,1-2H3
InChIKey
WSWOCGRVNZSPPP-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCOc1cccc(c1)NCc1ccccc1OCCC
Isomeric Smiles
c1(CNc2cc(OCCCCCCC)ccc2)c(OCCC)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.388828
LogD (pH = 7.4)
6.392049
Log P
6.39209
Molar Refractivity
110.74
Polarizability
42.708954
Polar Surface Area
30.49
Rotatable Bonds
13
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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