Molecule

ID:13797

General Information
Structure
MolImage
Molecular Formula
C₈H₅ClF₂O
Molecular Mass
190.5745064
Exact Mass
189.9996989
Charge
0
InChI
InChI=1S/C8H5ClF2O/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-3H,1H3
InChIKey
BNODNMUCMFITCS-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cc(F)c(cc1Cl)F
Isomeric Smiles
C(=O)(C)c1c(cc(c(c1)F)F)Cl
Calculated Properties
JChem
Acid pKa
15.444573
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.420342
LogD (pH = 7.4)
2.420342
Log P
2.420342
Molar Refractivity
41.6984
Polarizability
15.502892
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