Molecule

ID:29264

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃NO₂
Molecular Mass
249.34862
Exact Mass
249.17287898
Charge
0
InChI
InChI=1S/C15H23NO2/c1-17-10-11-18-15-8-6-13(7-9-15)12-16-14-4-2-3-5-14/h6-9,14,16H,2-5,10-12H2,1H3
InChIKey
DHEJHMMSSDEQBX-UHFFFAOYSA-N
Canonic Smiles
COCCOc1ccc(cc1)CNC1CCCC1
Isomeric Smiles
N(Cc1ccc(cc1)OCCOC)C1CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.53414476
LogD (pH = 7.4)
0.21275194
Log P
2.6816497
Molar Refractivity
73.2259
Polarizability
29.070498
Polar Surface Area
30.49
Rotatable Bonds
7
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