Molecule

ID:88295

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂Cl₂N₂S₂
Molecular Mass
283.24098
Exact Mass
281.98189575
Charge
0
InChI
InChI=1S/C9H10N2S2.2ClH/c1-6-11-8(5-12-6)9-3-2-7(4-10)13-9;;/h2-3,5H,4,10H2,1H3;2*1H
InChIKey
MEUGRQXKXWDEPC-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(s1)c1csc(n1)C.Cl.Cl
Isomeric Smiles
n1c(scc1c1ccc(s1)CN)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.9907632
LogD (pH = 7.4)
0.49553058
Log P
1.823535
Molar Refractivity
55.6187
Polarizability
22.842735
Polar Surface Area
38.91
Rotatable Bonds
2
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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