Molecule

ID:29455

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₃NO₂
Molecular Mass
355.51362
Exact Mass
355.2511293
Charge
0
InChI
InChI=1S/C23H33NO2/c1-3-5-7-10-17-26-23-15-9-8-12-20(23)19-24-21-13-11-14-22(18-21)25-16-6-4-2/h8-9,11-15,18,24H,3-7,10,16-17,19H2,1-2H3
InChIKey
BSMNTDOQDMRFPT-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOc1ccccc1CNc1cccc(c1)OCCCC
Isomeric Smiles
c1(CNc2cc(OCCCC)ccc2)c(OCCCCCC)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
42.70895
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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