Molecule

ID:108232

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆N₂O₂
Molecular Mass
326.43264
Exact Mass
326.19942808
Charge
0
InChI
InChI=1S/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3
InChIKey
LJOQGZACKSYWCH-UHFFFAOYSA-N
Canonic Smiles
CCC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)O
Isomeric Smiles
CCC1CN2CCC1CC2C(O)c1ccnc2c1cc(OC)cc2
Calculated Properties
JChem
Acid pKa
13.89212
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.47483543
LogD (pH = 7.4)
1.0415924
Log P
2.817452
Molar Refractivity
94.6495
Polarizability
38.58629
Polar Surface Area
45.59
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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