Molecule

ID:90258

General Information
Structure
MolImage
Molecular Formula
C₄H₆Cl₂N₂S
Molecular Mass
185.07484
Exact Mass
183.96287456
Charge
0
InChI
InChI=1S/C4H5ClN2S.ClH/c1-2-3(5)8-4(6)7-2;/h1H3,(H2,6,7);1H
InChIKey
BREOHTBTAOCPKN-UHFFFAOYSA-N
Canonic Smiles
Nc1nc(c(s1)Cl)C.Cl
Isomeric Smiles
n1c(sc(c1C)Cl)N.Cl
Calculated Properties
JChem
Acid pKa
16.594677
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.380944
LogD (pH = 7.4)
1.3886739
Log P
1.3887734
Molar Refractivity
33.9963
Polarizability
13.035328
Polar Surface Area
38.91
Rotatable Bonds
0
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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