Molecule

ID:56952

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀Cl₂O₂
Molecular Mass
281.134
Exact Mass
280.00578492
Charge
0
InChI
InChI=1S/C14H10Cl2O2/c15-11-6-7-13(12(8-11)14(16)17)18-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKey
BTGXDAJFTMOAQQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C(=O)Cl)OCc1ccccc1
Isomeric Smiles
c1(cc(c(cc1)OCc1ccccc1)C(=O)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.335005
LogD (pH = 7.4)
4.335005
Log P
4.335005
Molar Refractivity
73.0533
Polarizability
28.061003
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
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