Molecule

ID:29361

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO₂
Molecular Mass
257.32756
Exact Mass
257.14157885
Charge
0
InChI
InChI=1S/C16H19NO2/c1-2-17-14-8-10-16(11-9-14)19-13-12-18-15-6-4-3-5-7-15/h3-11,17H,2,12-13H2,1H3
InChIKey
HREOIYUKMHQKAT-UHFFFAOYSA-N
Canonic Smiles
CCNc1ccc(cc1)OCCOc1ccccc1
Isomeric Smiles
c1(NCC)ccc(cc1)OCCOc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.7256496
LogD (pH = 7.4)
3.2747977
Log P
3.2892103
Molar Refractivity
78.0158
Polarizability
29.793324
Polar Surface Area
30.49
Rotatable Bonds
7
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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