Molecule

ID:95710

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈Cl₃FN₂OS
Molecular Mass
365.6378232
Exact Mass
363.94069515
Charge
0
InChI
InChI=1S/C13H8Cl3FN2OS/c1-21-10-6-9(7-2-4-8(17)5-3-7)18-19(10)13(20)11(14)12(15)16/h2-6H,1H3
InChIKey
VYECOXCMCXGIEO-UHFFFAOYSA-N
Canonic Smiles
CSc1cc(nn1C(=O)C(=C(Cl)Cl)Cl)c1ccc(cc1)F
Isomeric Smiles
n1(C(=O)C(=C(Cl)Cl)Cl)nc(c2ccc(cc2)F)cc1SC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.390098
LogD (pH = 7.4)
4.3900986
Log P
4.3900986
Molar Refractivity
95.8471
Polarizability
33.627777
Polar Surface Area
34.89
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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