Molecule

ID:14558

General Information
Structure
MolImage
Molecular Formula
C₄H₆Cl₂N₂S
Molecular Mass
185.07484
Exact Mass
183.96287456
Charge
0
InChI
InChI=1S/C4H5ClN2S.ClH/c5-1-3-2-8-4(6)7-3;/h2H,1H2,(H2,6,7);1H
InChIKey
NMAKJOWVEDTHOA-UHFFFAOYSA-N
Canonic Smiles
Nc1nc(cs1)CCl.Cl
Isomeric Smiles
c1(nc(sc1)N)CCl.Cl
Calculated Properties
JChem
Acid pKa
16.673882
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1253076
LogD (pH = 7.4)
1.1556746
Log P
1.1560767
Molar Refractivity
34.7848
Polarizability
13.0117235
Polar Surface Area
38.91
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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