Molecule

ID:29460

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₉NO₃
Molecular Mass
355.47056
Exact Mass
355.21474379
Charge
0
InChI
InChI=1S/C22H29NO3/c1-2-3-13-24-21-7-4-6-19(15-21)23-16-18-9-11-20(12-10-18)26-17-22-8-5-14-25-22/h4,6-7,9-12,15,22-23H,2-3,5,8,13-14,16-17H2,1H3
InChIKey
DCFFNRGBEFORFU-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1cccc(c1)NCc1ccc(cc1)OCC1CCCO1
Isomeric Smiles
N(c1cc(OCCCC)ccc1)Cc1ccc(OCC2OCCC2)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.593606
LogD (pH = 7.4)
4.5975914
Log P
4.5976424
Molar Refractivity
105.9191
Polarizability
40.797142
Polar Surface Area
39.72
Rotatable Bonds
10
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