Molecule
ID:86743
General Information
Molecular Formula
C₁₄H₈Cl₃N₃OS
Molecular Mass
372.65682
Exact Mass
370.94536593
Charge
0
InChI
InChI=1S/C14H8Cl3N3OS/c15-10-3-1-8(2-4-10)7-22-14-20-19-13(21-14)9-5-11(16)18-12(17)6-9/h1-6H,7H2
InChIKey
HNMWXCHNAFVGGQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)CSc1nnc(o1)c1cc(Cl)nc(c1)Cl
Isomeric Smiles
o1c(nnc1SCc1ccc(cc1)Cl)c1cc(nc(c1)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.947434
LogD (pH = 7.4)
4.947434
Log P
4.947434
Molar Refractivity
103.3593
Polarizability
35.159668
Polar Surface Area
51.81
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
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
Loading...
Bioactivity
Loading...