Molecule

ID:83303

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₂BrO₃P
Molecular Mass
481.318141
Exact Mass
480.04899319
Charge
0
InChI
InChI=1S/C25H22O3P.BrH/c1-27-25(26)24-18-17-20(28-24)19-29(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23;/h2-18H,19H2,1H3;1H/q+1;/p-1
InChIKey
FWZDQNMWVWOLCW-UHFFFAOYSA-M
Canonic Smiles
COC(=O)c1ccc(o1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Isomeric Smiles
[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)Cc1ccc(o1)C(=O)OC.[Br-]
Calculated Properties
JChem
Acid pKa
14.608667
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.1800814
LogD (pH = 7.4)
5.1800814
Log P
5.1800814
Molar Refractivity
116.2815
Polarizability
45.203724
Polar Surface Area
39.44
Rotatable Bonds
7
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