Molecule

ID:9132

General Information
Structure
MolImage
Molecular Formula
C₄H₆ClFO₂
Molecular Mass
140.5406432
Exact Mass
140.00403533
Charge
0
InChI
InChI=1S/C4H6ClFO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
InChIKey
WUHVJSONZHSDFC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(Cl)F
Isomeric Smiles
O=C(C(F)Cl)OCC
Calculated Properties
JChem
Acid pKa
18.9395
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.1274575
LogD (pH = 7.4)
1.1274575
Log P
1.1274575
Molar Refractivity
27.2187
Polarizability
10.713226
Polar Surface Area
26.3
Rotatable Bonds
3
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