Molecule

ID:29372

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₇NO₃
Molecular Mass
377.47608
Exact Mass
377.19909373
Charge
0
InChI
InChI=1S/C24H27NO3/c1-19(2)28-24-11-7-6-8-20(24)18-25-21-12-14-23(15-13-21)27-17-16-26-22-9-4-3-5-10-22/h3-15,19,25H,16-18H2,1-2H3
InChIKey
PNWGGVZCANFWSC-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccccc1CNc1ccc(cc1)OCCOc1ccccc1)C
Isomeric Smiles
c1(c(CNc2ccc(cc2)OCCOc2ccccc2)cccc1)OC(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
5.1865735
LogD (pH = 7.4)
5.2713904
Log P
5.2725873
Molar Refractivity
113.5104
Polarizability
43.754025
Polar Surface Area
39.72
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