Molecule

ID:69676

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClFO
Molecular Mass
172.5840432
Exact Mass
172.00912071
Charge
0
InChI
InChI=1S/C8H6ClFO/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3
InChIKey
OIGMDNONQJGUCF-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)F)C(=O)C
Isomeric Smiles
C(=O)(C)c1c(cc(cc1)Cl)F
Calculated Properties
JChem
Acid pKa
15.254389
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2776399
LogD (pH = 7.4)
2.2776399
Log P
2.2776399
Molar Refractivity
41.482
Polarizability
15.674111
Polar Surface Area
17.07
Rotatable Bonds
1
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