Molecule

ID:18689

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO₂
Molecular Mass
257.32756
Exact Mass
257.14157885
Charge
0
InChI
InChI=1S/C16H19NO2/c1-18-14-7-3-12(4-8-14)11-16(17)13-5-9-15(19-2)10-6-13/h3-10,16H,11,17H2,1-2H3
InChIKey
HKSKSPMTGBSDOR-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CC(c1ccc(cc1)OC)N
Isomeric Smiles
C(c1ccc(cc1)OC)(Cc1ccc(cc1)OC)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.14848515
LogD (pH = 7.4)
0.6211249
Log P
2.856573
Molar Refractivity
76.4956
Polarizability
30.104214
Polar Surface Area
44.48
Rotatable Bonds
5
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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