Molecule

ID:55618

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂Cl₂N₂S
Molecular Mass
215.14388
Exact Mass
214.00982475
Charge
0
InChI
InChI=1S/C6H10N2S.2ClH/c1-5-3-8-6(9-5)4-7-2;;/h3,7H,4H2,1-2H3;2*1H
InChIKey
OSZMIBDJBIVGTQ-UHFFFAOYSA-N
Canonic Smiles
CNCc1ncc(s1)C.Cl.Cl
Isomeric Smiles
n1c(sc(c1)C)CNC.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4742566
LogD (pH = 7.4)
0.25501347
Log P
0.9094147
Molar Refractivity
38.8977
Polarizability
15.075102
Polar Surface Area
24.92
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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