Molecule

ID:67295

General Information
Structure
MolImage
Molecular Formula
C₇H₄BrFO
Molecular Mass
203.0084632
Exact Mass
201.94295497
Charge
0
InChI
InChI=1S/C7H4BrFO/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
InChIKey
SWHUROFMIMHWKS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)F)Br
Isomeric Smiles
C(=O)c1cc(c(cc1)Br)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5972028
LogD (pH = 7.4)
2.5972028
Log P
2.5972028
Molar Refractivity
40.4812
Polarizability
14.9266
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