Molecule

ID:13253

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO₂
Molecular Mass
231.29028
Exact Mass
231.12592879
Charge
0
InChI
InChI=1S/C14H17NO2/c1-2-16-13-7-5-12(6-8-13)10-15-11-14-4-3-9-17-14/h3-9,15H,2,10-11H2,1H3
InChIKey
FOMMAQICXGVACL-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)CNCc1ccco1
Isomeric Smiles
c1cc(oc1)CNCc1ccc(cc1)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.27766547
LogD (pH = 7.4)
1.984326
Log P
2.5154512
Molar Refractivity
67.5213
Polarizability
26.351625
Polar Surface Area
34.4
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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