Molecule

ID:29303

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₉NO₂
Molecular Mass
327.46046
Exact Mass
327.21982917
Charge
0
InChI
InChI=1S/C21H29NO2/c1-4-15-23-19-12-10-18(11-13-19)22-14-16-24-21-9-7-6-8-20(21)17(3)5-2/h6-13,17,22H,4-5,14-16H2,1-3H3
InChIKey
XSCBKAGVVKRZEC-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1)NCCOc1ccccc1C(CC)C
Isomeric Smiles
c1(c(OCCNc2ccc(cc2)OCCC)cccc1)C(CC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.3313127
LogD (pH = 7.4)
5.4986954
Log P
5.5013103
Molar Refractivity
101.3316
Polarizability
38.940346
Polar Surface Area
30.49
Rotatable Bonds
10
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