Molecule

ID:42884

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂O₃
Molecular Mass
278.34678
Exact Mass
278.16304257
Charge
0
InChI
InChI=1S/C15H22N2O3/c1-3-20-15(18)11-6-8-17(9-7-11)12-4-5-13(16)14(10-12)19-2/h4-5,10-11H,3,6-9,16H2,1-2H3
InChIKey
WJDCJCREJOUQAJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)c1ccc(c(c1)OC)N
Isomeric Smiles
N1(c2cc(c(cc2)N)OC)CCC(C(=O)OCC)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.80996823
LogD (pH = 7.4)
1.6372193
Log P
1.6705052
Molar Refractivity
79.5498
Polarizability
29.902763
Polar Surface Area
64.79
Rotatable Bonds
5
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