Molecule

ID:7105

General Information
Structure
MolImage
Molecular Formula
C₈H₃ClF₃NS
Molecular Mass
237.6293296
Exact Mass
236.96268244
Charge
0
InChI
InChI=1S/C8H3ClF3NS/c9-5-1-2-7(13-4-14)6(3-5)8(10,11)12/h1-3H
InChIKey
OOJRRHXHHCEPTA-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1C(F)(F)F)Cl
Isomeric Smiles
c1(C(F)(F)F)c(N=C=S)ccc(c1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.476964
LogD (pH = 7.4)
4.476964
Log P
4.476964
Molar Refractivity
53.8994
Polarizability
19.090418
Polar Surface Area
12.36
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