Molecule

ID:6484

General Information
Structure
MolImage
Molecular Formula
C₃BrClF₄O
Molecular Mass
243.3821128
Exact Mass
241.87571718
Charge
0
InChI
InChI=1S/C3BrClF4O/c4-2(6,1(5)10)3(7,8)9
InChIKey
LYEISECDEKRQHL-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C(C(F)(F)F)(Br)F
Isomeric Smiles
O=C(C(C(F)(F)F)(F)Br)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4545221
LogD (pH = 7.4)
2.4545221
Log P
2.4545221
Molar Refractivity
29.9155
Polarizability
11.601205
Polar Surface Area
17.07
Rotatable Bonds
2
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