Molecule

ID:13228

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁NO₃
Molecular Mass
287.35354
Exact Mass
287.15214354
Charge
0
InChI
InChI=1S/C17H21NO3/c1-19-15-7-4-13(5-8-15)11-18-12-14-6-9-16(20-2)10-17(14)21-3/h4-10,18H,11-12H2,1-3H3
InChIKey
PXHYPSWIIGXKMH-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CNCc1ccc(cc1OC)OC
Isomeric Smiles
c1c(cc(c(c1)CNCc1ccc(cc1)OC)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.06932861
LogD (pH = 7.4)
1.7752135
Log P
2.7830539
Molar Refractivity
83.3082
Polarizability
32.68191
Polar Surface Area
39.72
Rotatable Bonds
7
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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