Molecule

ID:51312

General Information
Structure
MolImage
Molecular Formula
C₄H₈Cl₂N₂S
Molecular Mass
187.09072
Exact Mass
185.97852463
Charge
0
InChI
InChI=1S/C4H6N2S.2ClH/c5-1-4-2-6-3-7-4;;/h2-3H,1,5H2;2*1H
InChIKey
URVNRCYESACKMV-UHFFFAOYSA-N
Canonic Smiles
NCc1scnc1.Cl.Cl
Isomeric Smiles
n1csc(c1)CN.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.739787
LogD (pH = 7.4)
-1.1003946
Log P
-0.10975355
Molar Refractivity
29.5239
Polarizability
11.482743
Polar Surface Area
38.91
Rotatable Bonds
1
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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