Molecule

ID:7474

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClFO₂
Molecular Mass
188.5834432
Exact Mass
188.00403533
Charge
0
InChI
InChI=1S/C8H6ClFO2/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3H,4H2,(H,11,12)
InChIKey
WGODGMOMOMNTRN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1ccc(c(c1)Cl)F
Isomeric Smiles
c1(cc(c(cc1)F)Cl)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.2630897
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.13991724
LogD (pH = 7.4)
-1.0759197
Log P
2.3577406
Molar Refractivity
42.3868
Polarizability
16.235638
Polar Surface Area
37.3
Rotatable Bonds
2
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