Molecule

ID:7769

General Information
Structure
Molecular Formula
C₃BrF₅O
Molecular Mass
226.927516
Exact Mass
225.90526772
Charge
0
InChI
InChI=1S/C3BrF5O/c4-2(5,6)1(10)3(7,8)9
InChIKey
IYDJQZOFWOSTFO-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Br)(F)F)C(F)(F)F
Isomeric Smiles
O=C(C(F)(F)F)C(F)(F)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7279966
LogD (pH = 7.4)
2.7279966
Log P
2.7279966
Molar Refractivity
25.8585
Polarizability
9.766172
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