Molecule

ID:86372

General Information
Structure
Molecular Formula
C₁₇H₁₀Cl₂N₂S₂
Molecular Mass
377.3107
Exact Mass
375.96624569
Charge
0
InChI
InChI=1S/C17H10Cl2N2S2/c1-9-11-4-2-3-5-13(11)23-16(9)12-8-22-17(20-12)10-6-14(18)21-15(19)7-10/h2-8H,1H3
InChIKey
BSXIZLDOZWNBPS-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)cc(c1)c1scc(n1)c1sc2c(c1C)cccc2
Isomeric Smiles
n1c(c2cc(nc(c2)Cl)Cl)scc1c1c(c2c(cccc2)s1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.5067883
LogD (pH = 7.4)
6.506808
Log P
6.5068083
Molar Refractivity
108.8729
Polarizability
40.236496
Polar Surface Area
25.78
Rotatable Bonds
2
Lipinski's Rule of Five
false
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