Molecule

ID:91902

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClN₂S₂
Molecular Mass
216.711
Exact Mass
215.95826785
Charge
0
InChI
InChI=1S/C7H5ClN2S2/c8-6-2-1-5(12-6)4-3-11-7(9)10-4/h1-3H,(H2,9,10)
InChIKey
KZOUOGWZDXYEDI-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(s1)c1csc(n1)N
Isomeric Smiles
n1c(N)scc1c1ccc(s1)Cl
Calculated Properties
JChem
Acid pKa
16.57251
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.059651
LogD (pH = 7.4)
3.0675256
Log P
3.067627
Molar Refractivity
51.0589
Polarizability
20.811552
Polar Surface Area
38.91
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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