Molecule

ID:12833

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉NO₂
Molecular Mass
269.33826
Exact Mass
269.14157885
Charge
0
InChI
InChI=1S/C17H19NO2/c18-9-8-15(10-13-4-2-1-3-5-13)14-6-7-16-17(11-14)20-12-19-16/h1-7,11,15H,8-10,12,18H2
InChIKey
VOIZDQSLTVNUIJ-UHFFFAOYSA-N
Canonic Smiles
NCCC(c1ccc2c(c1)OCO2)Cc1ccccc1
Isomeric Smiles
NCCC(Cc1ccccc1)c1cc2OCOc2cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.301138
LogD (pH = 7.4)
0.8294261
Log P
3.3208692
Molar Refractivity
78.8989
Polarizability
31.136845
Polar Surface Area
44.48
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
No Data Available
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Molecule Details
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References
Bioactivity
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