Molecule

ID:67487

General Information
Structure
Molecular Formula
C₅H₄Cl₂N₂S
Molecular Mass
195.06966
Exact Mass
193.9472245
Charge
0
InChI
InChI=1S/C5H4Cl2N2S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3
InChIKey
FCMLONIWOAGZJX-UHFFFAOYSA-N
Canonic Smiles
CSc1nc(Cl)cc(n1)Cl
Isomeric Smiles
c1(nc(cc(n1)Cl)Cl)SC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0051823
LogD (pH = 7.4)
3.0051823
Log P
3.0051823
Molar Refractivity
47.1594
Polarizability
17.432323
Polar Surface Area
25.78
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
No Data Available
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Molecule Details
References
Bioactivity
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