Molecule

ID:64696

General Information
Structure
MolImage
Molecular Formula
C₈H₈Cl₂N₂S
Molecular Mass
235.13352
Exact Mass
233.97852463
Charge
0
InChI
InChI=1S/C8H7ClN2S.ClH/c9-8-6-3-5(4-10)12-7(6)1-2-11-8;/h1-3H,4,10H2;1H
InChIKey
YHZXBFUTRHKDMW-UHFFFAOYSA-N
Canonic Smiles
NCc1sc2c(c1)c(Cl)ncc2.Cl
Isomeric Smiles
c1cnc(c2c1sc(c2)CN)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0846407
LogD (pH = 7.4)
0.42158246
Log P
1.7140279
Molar Refractivity
51.3648
Polarizability
20.903833
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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