Molecule

ID:7123

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClFO
Molecular Mass
172.5840432
Exact Mass
172.00912071
Charge
0
InChI
InChI=1S/C8H6ClFO/c1-5-2-3-7(9)6(4-11)8(5)10/h2-4H,1H3
InChIKey
GGZOMBUJFMOEEZ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(Cl)ccc(c1F)C
Isomeric Smiles
c1cc(c(c(c1Cl)C=O)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9459162
LogD (pH = 7.4)
2.9459162
Log P
2.9459162
Molar Refractivity
42.7044
Polarizability
15.612308
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