Molecule

ID:128462

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO₃
Molecular Mass
253.33732
Exact Mass
253.1677936
Charge
0
InChI
InChI=1S/C14H23NO3/c1-5-6-18-14-8-11(7-10(2)15)12(16-3)9-13(14)17-4/h8-10H,5-7,15H2,1-4H3
InChIKey
FTJOFRCENIVFLC-UHFFFAOYSA-N
Canonic Smiles
CCCOc1cc(CC(N)C)c(cc1OC)OC
Isomeric Smiles
COc1cc(OC)c(cc1OCCC)CC(C)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.805876
LogD (pH = 7.4)
-0.20974644
Log P
2.210567
Molar Refractivity
72.3674
Polarizability
28.536104
Polar Surface Area
53.71
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation