Molecule

ID:52641

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄N₂O₂
Molecular Mass
276.37396
Exact Mass
276.18377802
Charge
0
InChI
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-9-8-14(11-18)13-6-4-12(10-17)5-7-13/h4-7,14H,8-11,17H2,1-3H3
InChIKey
KEPYUGLRWGHYEC-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)C1CCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
c1(ccc(cc1)CN)C1CN(CC1)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8675705
LogD (pH = 7.4)
0.06898031
Log P
2.1206572
Molar Refractivity
80.2695
Polarizability
31.4361
Polar Surface Area
55.56
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
暂无数据
点击上传数据
References
Bioactivity
Navigation