Molecule

ID:26722

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈Cl₂N₂OS
Molecular Mass
287.16502
Exact Mass
285.97343925
Charge
0
InChI
InChI=1S/C11H8Cl2N2OS/c12-6-3-7(13)5-8(4-6)15-11(16)9-1-2-17-10(9)14/h1-5H,14H2,(H,15,16)
InChIKey
FTYGHIZQZQRROA-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(cc(c1)Cl)NC(=O)c1ccsc1N
Isomeric Smiles
c1(C(=O)Nc2cc(cc(c2)Cl)Cl)c(scc1)N
Calculated Properties
JChem
Acid pKa
10.398206
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.040725
LogD (pH = 7.4)
4.040318
Log P
4.040732
Molar Refractivity
72.1672
Polarizability
26.579704
Polar Surface Area
55.12
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