Molecule

ID:29597

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₇NO₃
Molecular Mass
329.43328
Exact Mass
329.19909373
Charge
0
InChI
InChI=1S/C20H27NO3/c1-3-13-23-19-11-7-5-9-17(19)16-21-18-10-6-8-12-20(18)24-15-14-22-4-2/h5-12,21H,3-4,13-16H2,1-2H3
InChIKey
DGHDWTADKOUNSA-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1ccccc1NCc1ccccc1OCCC
Isomeric Smiles
N(Cc1c(OCCC)cccc1)c1c(OCCOCC)cccc1
Calculated Properties
JChem
Acid pKa
18.801289
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.0255795
LogD (pH = 7.4)
4.0440764
Log P
4.0443172
Molar Refractivity
98.8555
Polarizability
37.84338
Polar Surface Area
39.72
Rotatable Bonds
11
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