Molecule

ID:18272

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO₃
Molecular Mass
259.30038
Exact Mass
259.12084341
Charge
0
InChI
InChI=1S/C15H17NO3/c1-17-14-4-2-3-5-15(14)19-11-10-18-13-8-6-12(16)7-9-13/h2-9H,10-11,16H2,1H3
InChIKey
XHAJWEMCIKBOIB-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1OCCOc1ccc(cc1)N
Isomeric Smiles
c1(c(OCCOc2ccc(N)cc2)cccc1)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.3830526
LogD (pH = 7.4)
2.4717686
Log P
2.473027
Molar Refractivity
74.237
Polarizability
28.616013
Polar Surface Area
53.71
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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