Molecule

ID:55619

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂Cl₂N₂S
Molecular Mass
215.14388
Exact Mass
214.00982475
Charge
0
InChI
InChI=1S/C6H10N2S.2ClH/c1-4-3-8-6(9-4)5(2)7;;/h3,5H,7H2,1-2H3;2*1H
InChIKey
PHRSEBDAWCEKGO-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc(s1)C(N)C.Cl.Cl
Isomeric Smiles
c1(ncc(s1)C)C(N)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4896392
LogD (pH = 7.4)
0.1841611
Log P
1.0455985
Molar Refractivity
38.617
Polarizability
15.075136
Polar Surface Area
38.91
Rotatable Bonds
1
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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