Molecule

ID:74530

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClN₂OS
Molecular Mass
186.61882
Exact Mass
185.96546141
Charge
0
InChI
InChI=1S/C6H3ClN2OS/c7-5-3(1-8)6(9)11-4(5)2-10/h2H,9H2
InChIKey
XIZSUYSWKGAOCN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1sc(c(c1Cl)C#N)N
Isomeric Smiles
s1c(c(C#N)c(c1C=O)Cl)N
Calculated Properties
JChem
Acid pKa
17.627607
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3958404
LogD (pH = 7.4)
1.3958404
Log P
1.3958404
Molar Refractivity
43.9186
Polarizability
15.938379
Polar Surface Area
66.88
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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