Molecule

ID:33428

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂Cl₂N₂S
Molecular Mass
215.14388
Exact Mass
214.00982475
Charge
0
InChI
InChI=1S/C6H10N2S.2ClH/c1-4-6(3-7)9-5(2)8-4;;/h3,7H2,1-2H3;2*1H
InChIKey
BAXJSYXKOHKTBE-UHFFFAOYSA-N
Canonic Smiles
NCc1sc(nc1C)C.Cl.Cl
Isomeric Smiles
n1c(c(sc1C)CN)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6699831
LogD (pH = 7.4)
-1.1840526
Log P
0.14468135
Molar Refractivity
38.5561
Polarizability
14.990736
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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