Molecule

ID:44569

General Information
Structure
Molecular Formula
C₁₃H₁₈N₂O₂
Molecular Mass
234.29422
Exact Mass
234.13682783
Charge
0
InChI
InChI=1S/C13H18N2O2/c1-14-7-9-15(10-8-14)12-5-3-11(4-6-12)13(16)17-2/h3-6H,7-10H2,1-2H3
InChIKey
LXCXOZWVDWCOCC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)N1CCN(CC1)C
Isomeric Smiles
N1(c2ccc(C(=O)OC)cc2)CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.26072136
LogD (pH = 7.4)
1.4479142
Log P
1.9318862
Molar Refractivity
68.562
Polarizability
25.88949
Polar Surface Area
32.78
Rotatable Bonds
3
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