Molecule

ID:13355

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO₂
Molecular Mass
231.29028
Exact Mass
231.12592879
Charge
0
InChI
InChI=1S/C14H17NO2/c1-11-3-6-14(17-11)10-15-9-12-4-7-13(16-2)8-5-12/h3-8,15H,9-10H2,1-2H3
InChIKey
AHRZZSIGHKSYCD-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CNCc1ccc(o1)C
Isomeric Smiles
c1c(ccc(c1)CNCc1ccc(o1)C)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.07202953
LogD (pH = 7.4)
1.7881145
Log P
2.3582044
Molar Refractivity
67.9224
Polarizability
26.274645
Polar Surface Area
34.4
Rotatable Bonds
5
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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