Molecule

ID:128914

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO₃
Molecular Mass
301.38012
Exact Mass
301.1677936
Charge
0
InChI
InChI=1S/C18H23NO3/c1-20-16-12-15(8-10-19)13-17(21-2)18(16)22-11-9-14-6-4-3-5-7-14/h3-7,12-13H,8-11,19H2,1-2H3
InChIKey
FKXBCTFKCKEDNI-UHFFFAOYSA-N
Canonic Smiles
NCCc1cc(OC)c(c(c1)OC)OCCc1ccccc1
Isomeric Smiles
COc1cc(cc(OC)c1OCCc1ccccc1)CCN
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.08103681
LogD (pH = 7.4)
0.63890386
Log P
2.927796
Molar Refractivity
88.0436
Polarizability
34.37788
Polar Surface Area
53.71
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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