Molecule

ID:82583

General Information
Structure
MolImage
Molecular Formula
C₄H₂Cl₂N₂OS
Molecular Mass
197.04248
Exact Mass
195.92648905
Charge
0
InChI
InChI=1S/C4H2Cl2N2OS/c5-3-2(1-7-9)10-4(6)8-3/h1,9H
InChIKey
JSJDEBDHPLBYEN-UHFFFAOYSA-N
Canonic Smiles
O/N=C/c1sc(nc1Cl)Cl
Isomeric Smiles
n1c(sc(c1Cl)/C=N/O)Cl
Calculated Properties
JChem
Acid pKa
5.3459005
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8424083
LogD (pH = 7.4)
0.33589303
Log P
2.2246964
Molar Refractivity
42.3482
Polarizability
15.599525
Polar Surface Area
45.48
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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