Molecule

ID:8657

General Information
Structure
Molecular Formula
C₁₀H₆ClF₃N₂O
Molecular Mass
262.6156496
Exact Mass
262.01207516
Charge
0
InChI
InChI=1S/C10H6ClF3N2O/c11-5-8-15-9(17-16-8)6-1-3-7(4-2-6)10(12,13)14/h1-4H,5H2
InChIKey
IOVWIIJODVBCRC-UHFFFAOYSA-N
Canonic Smiles
ClCc1noc(n1)c1ccc(cc1)C(F)(F)F
Isomeric Smiles
c1(nc(on1)c1ccc(cc1)C(F)(F)F)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8124835
LogD (pH = 7.4)
3.8124835
Log P
3.8124835
Molar Refractivity
67.127
Polarizability
20.704563
Polar Surface Area
38.92
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