Molecule

ID:128366

General Information
Structure
Molecular Formula
C₁₇H₁₉NO₂
Molecular Mass
269.33826
Exact Mass
269.14157885
Charge
0
InChI
InChI=1S/C17H19NO2/c1-13(18-11-14-5-3-2-4-6-14)9-15-7-8-16-17(10-15)20-12-19-16/h2-8,10,13,18H,9,11-12H2,1H3
InChIKey
DWLUHTUYTBWOLO-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccc2c(c1)OCO2)NCc1ccccc1
Isomeric Smiles
c1c2c(ccc1CC(C)NCc1ccccc1)OCO2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.37157845
LogD (pH = 7.4)
1.1541176
Log P
3.5845375
Molar Refractivity
78.8593
Polarizability
31.212938
Polar Surface Area
30.49
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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