Molecule

ID:28695

General Information
Structure
MolImage
Molecular Formula
C₂₉H₂₉NO₂
Molecular Mass
423.54606
Exact Mass
423.21982917
Charge
0
InChI
InChI=1S/C29H29NO2/c1-3-10-24(11-4-1)18-20-31-28-16-9-15-27(22-28)30-23-26-14-7-8-17-29(26)32-21-19-25-12-5-2-6-13-25/h1-17,22,30H,18-21,23H2
InChIKey
ZPERCMBVKUXNGI-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CCOc1cccc(c1)NCc1ccccc1OCCc1ccccc1
Isomeric Smiles
c1(CNc2cc(OCCc3ccccc3)ccc2)c(OCCc2ccccc2)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.878165
LogD (pH = 7.4)
6.881382
Log P
6.881423
Molar Refractivity
132.526
Polarizability
50.735905
Polar Surface Area
30.49
Rotatable Bonds
11
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