Molecule

ID:101756

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀Cl₂N₂S
Molecular Mass
261.1708
Exact Mass
259.99417469
Charge
0
InChI
InChI=1S/C10H9ClN2S.ClH/c11-8-3-1-7(2-4-8)10-13-9(5-12)6-14-10;/h1-4,6H,5,12H2;1H
InChIKey
PNBZPHKDYJHRSP-UHFFFAOYSA-N
Canonic Smiles
NCc1csc(n1)c1ccc(cc1)Cl.Cl
Isomeric Smiles
n1c(scc1CN)c1ccc(cc1)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.10510897
LogD (pH = 7.4)
1.5574608
Log P
2.4680939
Molar Refractivity
69.124
Polarizability
23.606678
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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