Molecule

ID:82106

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₅BrNP
Molecular Mass
414.318361
Exact Mass
413.09079844
Charge
0
InChI
InChI=1S/C22H25NP.BrH/c1-22(2,3)23-24(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21;/h4-18,23H,1-3H3;1H/q+1;/p-1
InChIKey
UHNSSPPSNVBDIN-UHFFFAOYSA-M
Canonic Smiles
CC(N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(C)C.[Br-]
Isomeric Smiles
[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)NC(C)(C)C.[Br-]
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.1764264
LogD (pH = 7.4)
5.177703
Log P
5.177719
Molar Refractivity
115.0401
Polarizability
41.53058
Polar Surface Area
12.03
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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