Molecule

ID:29365

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₅NO₃
Molecular Mass
363.4495
Exact Mass
363.18344367
Charge
0
InChI
InChI=1S/C23H25NO3/c1-2-25-23-11-7-6-8-19(23)18-24-20-12-14-22(15-13-20)27-17-16-26-21-9-4-3-5-10-21/h3-15,24H,2,16-18H2,1H3
InChIKey
JWIAWJHIHZFHLW-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccccc1CNc1ccc(cc1)OCCOc1ccccc1
Isomeric Smiles
c1(CNc2ccc(cc2)OCCOc2ccccc2)c(OCC)cccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.769997
LogD (pH = 7.4)
4.8548155
Log P
4.856012
Molar Refractivity
109.0916
Polarizability
41.909042
Polar Surface Area
39.72
Rotatable Bonds
10
Lipinski's Rule of Five
true
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