Molecule

ID:66615

General Information
Structure
MolImage
Molecular Formula
C₄H₆Cl₂N₂S
Molecular Mass
185.07484
Exact Mass
183.96287456
Charge
0
InChI
InChI=1S/C4H5ClN2S.ClH/c5-4-7-2-3(1-6)8-4;/h2H,1,6H2;1H
InChIKey
QWCUHOCIRYNOOH-UHFFFAOYSA-N
Canonic Smiles
NCc1cnc(s1)Cl.Cl
Isomeric Smiles
s1c(ncc1CN)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7093925
LogD (pH = 7.4)
-0.030387376
Log P
0.8042608
Molar Refractivity
34.5498
Polarizability
13.531356
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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