Molecule

ID:29402

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₅NO₂
Molecular Mass
347.4501
Exact Mass
347.18852905
Charge
0
InChI
InChI=1S/C23H25NO2/c1-19-6-5-9-23(18-19)26-17-15-24-21-10-12-22(13-11-21)25-16-14-20-7-3-2-4-8-20/h2-13,18,24H,14-17H2,1H3
InChIKey
MBCIUIIWMIHGEB-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)OCCNc1ccc(cc1)OCCc1ccccc1
Isomeric Smiles
c1(NCCOc2cc(ccc2)C)ccc(cc1)OCCc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.2894435
LogD (pH = 7.4)
5.4563518
Log P
5.458958
Molar Refractivity
107.676
Polarizability
41.10614
Polar Surface Area
30.49
Rotatable Bonds
9
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