Molecule

ID:94121

General Information
Structure
MolImage
Molecular Formula
C₄H₃Br₂F₅
Molecular Mass
305.866636
Exact Mass
303.8521652
Charge
0
InChI
InChI=1S/C4H3Br2F5/c5-1-2(6)3(7,8)4(9,10)11/h2H,1H2
InChIKey
LRKIMNKTUXHNLV-UHFFFAOYSA-N
Canonic Smiles
BrCC(C(C(F)(F)F)(F)F)Br
Isomeric Smiles
BrCC(C(C(F)(F)F)(F)F)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.587001
LogD (pH = 7.4)
3.587001
Log P
3.587001
Molar Refractivity
36.4109
Polarizability
14.296044
Polar Surface Area
0.0
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
暂无数据
点击上传数据
References
Bioactivity
Navigation