Molecule

ID:99856

General Information
Structure
MolImage
Molecular Formula
C₈H₅ClF₂O
Molecular Mass
190.5745064
Exact Mass
189.9996989
Charge
0
InChI
InChI=1S/C8H5ClF2O/c1-4-6(10)3-2-5(7(4)11)8(9)12/h2-3H,1H3
InChIKey
BMMDDDOEASRDKX-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc(c(c1F)C)F
Isomeric Smiles
O=C(c1c(c(c(cc1)F)C)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9629836
LogD (pH = 7.4)
2.9629836
Log P
2.9629836
Molar Refractivity
42.6467
Polarizability
15.413226
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