Molecule

ID:82870

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂O₂
Molecular Mass
262.34738
Exact Mass
262.16812795
Charge
0
InChI
InChI=1S/C15H22N2O2/c16-15(18)8-11-19-14-6-9-17(10-7-14)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H2,16,18)
InChIKey
RKOOIPLMPUSYSJ-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CCOC1CCN(CC1)Cc1ccccc1
Isomeric Smiles
N1(Cc2ccccc2)CCC(CC1)OCCC(=O)N
Calculated Properties
JChem
Acid pKa
16.438332
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.4196885
LogD (pH = 7.4)
-0.82875746
Log P
0.7838821
Molar Refractivity
75.6824
Polarizability
29.596794
Polar Surface Area
55.56
Rotatable Bonds
6
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
暂无数据
点击上传数据
References
Bioactivity
Navigation