Molecule

ID:94537

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClF₃N
Molecular Mass
245.6281896
Exact Mass
245.02191157
Charge
0
InChI
InChI=1S/C11H7ClF3N/c1-6-2-3-9-7(4-6)8(12)5-10(16-9)11(13,14)15/h2-5H,1H3
InChIKey
ZLSXNETUGWRDSH-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)c(Cl)cc(n2)C(F)(F)F
Isomeric Smiles
n1c(cc(c2c1ccc(c2)C)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.512064
LogD (pH = 7.4)
4.5120654
Log P
4.5120654
Molar Refractivity
55.427
Polarizability
21.631907
Polar Surface Area
12.89
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
暂无数据
点击上传数据
References
Bioactivity
Navigation