Molecule

ID:7281

General Information
Structure
MolImage
Molecular Formula
C₇H₃ClF₂O
Molecular Mass
176.5479264
Exact Mass
175.98404884
Charge
0
InChI
InChI=1S/C7H3ClF2O/c8-7-4(3-11)5(9)1-2-6(7)10/h1-3H
InChIKey
KPYBGKSDBNMHTO-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(F)ccc(c1Cl)F
Isomeric Smiles
c1cc(c(c(c1F)C=O)Cl)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5751967
LogD (pH = 7.4)
2.5751967
Log P
2.5751967
Molar Refractivity
37.8796
Polarizability
13.73985
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
References
Bioactivity
Navigation