Molecule

ID:29348

General Information
Structure
Molecular Formula
C₂₈H₃₅NO₂
Molecular Mass
417.583
Exact Mass
417.26677937
Charge
0
InChI
InChI=1S/C28H35NO2/c1-2-3-4-5-11-21-30-27-18-16-26(17-19-27)29-23-25-14-9-10-15-28(25)31-22-20-24-12-7-6-8-13-24/h6-10,12-19,29H,2-5,11,20-23H2,1H3
InChIKey
ZQWJKBUILWVYPU-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCOc1ccc(cc1)NCc1ccccc1OCCc1ccccc1
Isomeric Smiles
c1(CNc2ccc(cc2)OCCCCCCC)c(OCCc2ccccc2)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
7.438025
LogD (pH = 7.4)
7.5246687
Log P
7.5258937
Molar Refractivity
130.835
Polarizability
50.413025
Polar Surface Area
30.49
Rotatable Bonds
14
Lipinski's Rule of Five
false
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