Molecule

ID:41013

General Information
Structure
MolImage
Molecular Formula
C₈H₄Cl₂N₂S₂
Molecular Mass
263.16676
Exact Mass
261.9192955
Charge
0
InChI
InChI=1S/C8H4Cl2N2S2/c9-4-1-2-5(6(10)3-4)7-8(13)14-12-11-7/h1-3,13H
InChIKey
HWVLADOPEXDISC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)c1nnsc1S
Isomeric Smiles
c1(c(snn1)S)c1c(cc(cc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
4.4020004
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0982118
LogD (pH = 7.4)
2.6471639
Log P
4.0623517
Molar Refractivity
61.8995
Polarizability
25.066122
Polar Surface Area
25.78
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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