Molecule

ID:125732

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂O₂
Molecular Mass
262.34738
Exact Mass
262.16812795
Charge
0
InChI
InChI=1S/C15H22N2O2/c1-4-7-13-8-5-6-9-15(13)19-11-14(17-18)10-16-12(2)3/h4-6,8-9,12,16,18H,1,7,10-11H2,2-3H3
InChIKey
XFQFSSGNEFUEPA-UHFFFAOYSA-N
Canonic Smiles
C=CCc1ccccc1OC/C(=N\O)/CNC(C)C
Isomeric Smiles
O(c1ccccc1CC=C)C/C(=N\O)/CNC(C)C
Calculated Properties
JChem
Acid pKa
6.4689507
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.88089776
LogD (pH = 7.4)
1.8097996
Log P
1.8284658
Molar Refractivity
77.5676
Polarizability
30.286196
Polar Surface Area
53.85
Rotatable Bonds
8
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