Molecule

ID:29462

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO₃
Molecular Mass
301.38012
Exact Mass
301.1677936
Charge
0
InChI
InChI=1S/C18H23NO3/c1-3-12-21-18-6-4-5-15(14-18)19-11-13-22-17-9-7-16(20-2)8-10-17/h4-10,14,19H,3,11-13H2,1-2H3
InChIKey
MQSMRRQTQJAQFW-UHFFFAOYSA-N
Canonic Smiles
CCCOc1cccc(c1)NCCOc1ccc(cc1)OC
Isomeric Smiles
c1c(NCCOc2ccc(cc2)OC)cccc1OCCC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.6471086
LogD (pH = 7.4)
3.653973
Log P
3.6540613
Molar Refractivity
89.003
Polarizability
34.142117
Polar Surface Area
39.72
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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