Molecule

ID:80505

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂Cl₂N₂S
Molecular Mass
263.18668
Exact Mass
262.00982475
Charge
0
InChI
InChI=1S/C10H10N2S.2ClH/c11-7-8-4-5-10(13-8)9-3-1-2-6-12-9;;/h1-6H,7,11H2;2*1H
InChIKey
WGUHZRVGSBVNMY-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(s1)c1ccccn1.Cl.Cl
Isomeric Smiles
s1c(ccc1CN)c1ccccn1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0030357
LogD (pH = 7.4)
0.46924984
Log P
1.824005
Molar Refractivity
53.8127
Polarizability
22.443327
Polar Surface Area
38.91
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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