Molecule

ID:13273

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO₂
Molecular Mass
235.32204
Exact Mass
235.15722892
Charge
0
InChI
InChI=1S/C14H21NO2/c1-2-16-13-7-5-12(6-8-13)10-15-11-14-4-3-9-17-14/h5-8,14-15H,2-4,9-11H2,1H3
InChIKey
UPMNIKCKTURHHR-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)CNCC1CCCO1
Isomeric Smiles
C1(CNCc2ccc(cc2)OCC)OCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.96284336
LogD (pH = 7.4)
0.35842517
Log P
2.1493204
Molar Refractivity
68.7725
Polarizability
27.226385
Polar Surface Area
30.49
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