Molecule

ID:76203

General Information
Structure
MolImage
Molecular Formula
C₄H₃ClN₂OS
Molecular Mass
162.59742
Exact Mass
161.96546141
Charge
0
InChI
InChI=1S/C4H3ClN2OS/c1-2-3(4(5)8)9-7-6-2/h1H3
InChIKey
SDNDOCTUXWLDIX-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1snnc1C
Isomeric Smiles
n1nc(c(s1)C(=O)Cl)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0167055
LogD (pH = 7.4)
1.0167056
Log P
1.0167056
Molar Refractivity
35.8463
Polarizability
13.0355625
Polar Surface Area
42.85
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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