Molecule

ID:29018

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO₂
Molecular Mass
243.30098
Exact Mass
243.12592879
Charge
0
InChI
InChI=1S/C15H17NO2/c1-17-15-9-5-6-13(12-15)16-10-11-18-14-7-3-2-4-8-14/h2-9,12,16H,10-11H2,1H3
InChIKey
WLRRLKCQBNHXGD-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)NCCOc1ccccc1
Isomeric Smiles
c1c(NCCOc2ccccc2)cccc1OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.9253633
LogD (pH = 7.4)
2.932313
Log P
2.9324024
Molar Refractivity
73.2672
Polarizability
27.949839
Polar Surface Area
30.49
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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