Molecule

ID:55616

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂Cl₂N₂S
Molecular Mass
215.14388
Exact Mass
214.00982475
Charge
0
InChI
InChI=1S/C6H10N2S.2ClH/c1-5-6(3-7-2)9-4-8-5;;/h4,7H,3H2,1-2H3;2*1H
InChIKey
PNNGEKKNFIAQHS-UHFFFAOYSA-N
Canonic Smiles
CNCc1scnc1C.Cl.Cl
Isomeric Smiles
c1(c(ncs1)C)CNC.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5084977
LogD (pH = 7.4)
-0.9434107
Log P
0.45419702
Molar Refractivity
38.89
Polarizability
15.070786
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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