Molecule

ID:29373

General Information
Structure
MolImage
Molecular Formula
C₂₉H₂₉NO₃
Molecular Mass
439.54546
Exact Mass
439.21474379
Charge
0
InChI
InChI=1S/C29H29NO3/c1-3-8-24(9-4-1)18-19-31-29-13-7-10-25(22-29)23-30-26-14-16-28(17-15-26)33-21-20-32-27-11-5-2-6-12-27/h1-17,22,30H,18-21,23H2
InChIKey
MXUFHPUBMZLXNQ-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CCOc1cccc(c1)CNc1ccc(cc1)OCCOc1ccccc1
Isomeric Smiles
N(c1ccc(cc1)OCCOc1ccccc1)Cc1cc(OCCc2ccccc2)ccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
6.408823
LogD (pH = 7.4)
6.510868
Log P
6.5123386
Molar Refractivity
133.7106
Polarizability
51.45419
Polar Surface Area
39.72
Rotatable Bonds
12
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