Molecule

ID:84929

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂Cl₂O
Molecular Mass
291.17188
Exact Mass
290.02652036
Charge
0
InChI
InChI=1S/C16H12Cl2O/c1-11-4-2-3-5-14(11)16(19)9-7-12-6-8-13(17)10-15(12)18/h2-10H,1H3
InChIKey
XELYDKHKRIEEAL-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)/C=C/C(=O)c1ccccc1C
Isomeric Smiles
O=C(c1ccccc1C)/C=C/c1ccc(cc1Cl)Cl
Calculated Properties
JChem
Acid pKa
16.416063
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.611836
LogD (pH = 7.4)
5.611836
Log P
5.611836
Molar Refractivity
81.5278
Polarizability
30.82563
Polar Surface Area
17.07
Rotatable Bonds
3
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