Molecule

ID:98600

General Information
Structure
MolImage
Molecular Formula
C₈H₄ClF₆N
Molecular Mass
263.5674792
Exact Mass
262.99364613
Charge
0
InChI
InChI=1S/C8H4ClF6N/c9-6-4(7(10,11)12)1-3(16)2-5(6)8(13,14)15/h1-2H,16H2
InChIKey
PIKVAJGVDRGPMX-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(c(c(c1)C(F)(F)F)Cl)C(F)(F)F
Isomeric Smiles
Nc1cc(c(c(c1)C(F)(F)F)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.5039253
LogD (pH = 7.4)
3.5040598
Log P
3.5040615
Molar Refractivity
47.5106
Polarizability
16.397167
Polar Surface Area
26.02
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