Molecule

ID:28867

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₇NO₂
Molecular Mass
361.47668
Exact Mass
361.20417911
Charge
0
InChI
InChI=1S/C24H27NO2/c1-24(2,3)19-9-13-21(14-10-19)26-18-17-25-20-11-15-23(16-12-20)27-22-7-5-4-6-8-22/h4-16,25H,17-18H2,1-3H3
InChIKey
LRLZNANGQXHXGL-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)OCCNc1ccc(cc1)Oc1ccccc1)(C)C
Isomeric Smiles
C(c1ccc(cc1)OCCNc1ccc(Oc2ccccc2)cc1)(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.0824785
LogD (pH = 7.4)
6.1347084
Log P
6.135417
Molar Refractivity
111.7107
Polarizability
43.088234
Polar Surface Area
30.49
Rotatable Bonds
8
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