Molecule

ID:18969

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂Cl₂N₂S
Molecular Mass
263.18668
Exact Mass
262.00982475
Charge
0
InChI
InChI=1S/C10H10N2S.2ClH/c11-10(9-2-1-7-13-9)8-3-5-12-6-4-8;;/h1-7,10H,11H2;2*1H
InChIKey
CYSSPJVLTNKRSC-UHFFFAOYSA-N
Canonic Smiles
NC(c1cccs1)c1ccncc1.Cl.Cl
Isomeric Smiles
c1(sccc1)C(c1ccncc1)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0435361
LogD (pH = 7.4)
0.6024326
Log P
1.5784634
Molar Refractivity
53.5472
Polarizability
21.034212
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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