Molecule

ID:98141

General Information
Structure
MolImage
Molecular Formula
C₈HBr₂F₁₃
Molecular Mass
503.8807816
Exact Mass
501.82374089
Charge
0
InChI
InChI=1S/C8HBr2F13/c9-1-2(10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h1H
InChIKey
YCJFSPFBPAMUCR-UHFFFAOYSA-N
Canonic Smiles
Br/C=C(/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)\Br
Isomeric Smiles
FC(F)(C(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C(=C/Br)/Br)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.244461
LogD (pH = 7.4)
6.244461
Log P
6.244461
Molar Refractivity
55.0756
Polarizability
21.67051
Polar Surface Area
0.0
Rotatable Bonds
6
Lipinski's Rule of Five
false
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