Molecule

ID:14904

General Information
Structure
Molecular Formula
C₁₅H₂₄N₂O
Molecular Mass
248.36386
Exact Mass
248.1888634
Charge
0
InChI
InChI=1S/C15H24N2O/c1-3-17-10-4-5-14(17)12-16-11-13-6-8-15(18-2)9-7-13/h6-9,14,16H,3-5,10-12H2,1-2H3
InChIKey
JEWOBTHTAMVEAQ-UHFFFAOYSA-N
Canonic Smiles
CCN1CCCC1CNCc1ccc(cc1)OC
Isomeric Smiles
C1(N(CCC1)CC)CNCc1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.5366418
LogD (pH = 7.4)
-0.14835094
Log P
2.2149403
Molar Refractivity
75.7481
Polarizability
29.925835
Polar Surface Area
24.5
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