Molecule

ID:28753

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁NO₃
Molecular Mass
287.35354
Exact Mass
287.15214354
Charge
0
InChI
InChI=1S/C17H21NO3/c1-19-10-11-21-16-8-5-7-15(12-16)18-13-14-6-3-4-9-17(14)20-2/h3-9,12,18H,10-11,13H2,1-2H3
InChIKey
KMNSIDRCSKYHJD-UHFFFAOYSA-N
Canonic Smiles
COCCOc1cccc(c1)NCc1ccccc1OC
Isomeric Smiles
c1(CNc2cc(OCCOC)ccc2)c(OC)cccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.804943
LogD (pH = 7.4)
2.8081381
Log P
2.8081791
Molar Refractivity
84.8343
Polarizability
32.311897
Polar Surface Area
39.72
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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