Molecule

ID:13197

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO₂
Molecular Mass
257.32756
Exact Mass
257.14157885
Charge
0
InChI
InChI=1S/C16H19NO2/c1-18-15-9-8-14(10-16(15)19-2)12-17-11-13-6-4-3-5-7-13/h3-10,17H,11-12H2,1-2H3
InChIKey
JUVDVCSGIUHGPB-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CNCc2ccccc2)ccc1OC
Isomeric Smiles
c1(cc(c(cc1)OC)OC)CNCc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.066851564
LogD (pH = 7.4)
1.4475054
Log P
2.9407253
Molar Refractivity
76.845
Polarizability
30.184065
Polar Surface Area
30.49
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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