Molecule

ID:31208

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂Cl₂N₂S
Molecular Mass
275.19738
Exact Mass
274.00982475
Charge
0
InChI
InChI=1S/C11H11ClN2S.ClH/c12-9-3-1-8(2-4-9)10-7-15-11(14-10)5-6-13;/h1-4,7H,5-6,13H2;1H
InChIKey
CPDKFTIIWMMSDJ-UHFFFAOYSA-N
Canonic Smiles
NCCc1scc(n1)c1ccc(cc1)Cl.Cl
Isomeric Smiles
n1c(csc1CCN)c1ccc(cc1)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.27240008
LogD (pH = 7.4)
0.7425629
Log P
2.7051065
Molar Refractivity
63.3352
Polarizability
26.0379
Polar Surface Area
38.91
Rotatable Bonds
3
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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