Molecule

ID:96079

General Information
Structure
MolImage
Molecular Formula
C₁₁H₄ClF₃N₂S
Molecular Mass
288.6760696
Exact Mass
287.97358148
Charge
0
InChI
InChI=1S/C11H4ClF3N2S/c12-10-6(5-16)7(11(13,14)15)4-8(17-10)9-2-1-3-18-9/h1-4H
InChIKey
HQMDUCXESPXKLJ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(Cl)nc(cc1C(F)(F)F)c1cccs1
Isomeric Smiles
n1c(cc(c(c1Cl)C#N)C(F)(F)F)c1cccs1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.123964
LogD (pH = 7.4)
4.123964
Log P
4.123964
Molar Refractivity
63.1166
Polarizability
24.014406
Polar Surface Area
36.68
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