Molecule

ID:99780

General Information
Structure
MolImage
Molecular Formula
C₈H₂F₂O₃
Molecular Mass
184.0964864
Exact Mass
183.99720036
Charge
0
InChI
InChI=1S/C8H2F2O3/c9-3-1-2-4(10)6-5(3)7(11)13-8(6)12/h1-2H
InChIKey
AVLRPSLTCCWJKC-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(=O)c2c1c(F)ccc2F
Isomeric Smiles
O1C(=O)c2c(ccc(c2C1=O)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7079875
LogD (pH = 7.4)
1.7079875
Log P
1.7079875
Molar Refractivity
37.7978
Polarizability
13.781776
Polar Surface Area
43.37
Rotatable Bonds
0
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