Molecule

ID:98467

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClF₂O
Molecular Mass
164.5372264
Exact Mass
163.98404884
Charge
0
InChI
InChI=1S/C6H3ClF2O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKey
BVXYFECYLILSJV-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(F)c(c(c1)F)O
Isomeric Smiles
Oc1c(cc(cc1F)Cl)F
Calculated Properties
JChem
Acid pKa
7.0714855
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.5477452
LogD (pH = 7.4)
2.0722904
Log P
2.559129
Molar Refractivity
33.2765
Polarizability
12.441098
Polar Surface Area
20.23
Rotatable Bonds
0
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