Molecule

ID:94841

General Information
Structure
Molecular Formula
C₁₀H₇BrF₆O
Molecular Mass
337.0563992
Exact Mass
335.95844616
Charge
0
InChI
InChI=1S/C10H7BrF6O/c1-18-7-5-3-2-4-6(7)8(11,9(12,13)14)10(15,16)17/h2-5H,1H3
InChIKey
UZUVKUZDUBHAOK-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1C(C(F)(F)F)(C(F)(F)F)Br
Isomeric Smiles
O(c1c(cccc1)C(Br)(C(F)(F)F)C(F)(F)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.48204
LogD (pH = 7.4)
4.48204
Log P
4.48204
Molar Refractivity
55.8316
Polarizability
20.66611
Polar Surface Area
9.23
Rotatable Bonds
4
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