Molecule

ID:83811

General Information
Structure
MolImage
Molecular Formula
C₂₂H₁₆Cl₂O₂
Molecular Mass
383.26724
Exact Mass
382.05273511
Charge
0
InChI
InChI=1S/C22H16Cl2O2/c23-19-12-10-16(14-20(19)24)11-13-21(25)18-8-4-5-9-22(18)26-15-17-6-2-1-3-7-17/h1-14H,15H2
InChIKey
ABGDRYIAWNIEIO-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1OCc1ccccc1)/C=C/c1ccc(c(c1)Cl)Cl
Isomeric Smiles
O(c1ccccc1C(=O)/C=C/c1ccc(c(c1)Cl)Cl)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
16.255878
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.6652164
LogD (pH = 7.4)
6.6652164
Log P
6.6652164
Molar Refractivity
107.5624
Polarizability
41.19433
Polar Surface Area
26.3
Rotatable Bonds
6
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