Molecule

ID:83033

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₈Cl₂NO₂P
Molecular Mass
442.274281
Exact Mass
441.04522081
Charge
0
InChI
InChI=1S/C23H18Cl2NO2P/c24-19-13-7-14-20(22(19)25)26-23(21-15-8-16-28-21)29(27,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-16,23,26H
InChIKey
CXUOKPLGGQRETL-UHFFFAOYSA-N
Canonic Smiles
Clc1c(Cl)cccc1NC(P(=O)(c1ccccc1)c1ccccc1)c1ccco1
Isomeric Smiles
O=P(c1ccccc1)(c1ccccc1)C(c1ccco1)Nc1c(c(ccc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
11.390467
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.6329994
LogD (pH = 7.4)
6.6329565
Log P
6.633
Molar Refractivity
119.0151
Polarizability
46.131023
Polar Surface Area
42.24
Rotatable Bonds
6
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