Molecule

ID:67427

General Information
Structure
MolImage
Molecular Formula
C₃H₄Cl₂N₂S
Molecular Mass
171.04826
Exact Mass
169.9472245
Charge
0
InChI
InChI=1S/C3H3ClN2S.ClH/c4-2-1-6-3(5)7-2;/h1H,(H2,5,6);1H
InChIKey
GTMGFQYVLSQTKP-UHFFFAOYSA-N
Canonic Smiles
Clc1cnc(s1)N.Cl
Isomeric Smiles
s1c(ncc1Cl)N.Cl
Calculated Properties
JChem
Acid pKa
16.498804
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2472265
LogD (pH = 7.4)
1.2572734
Log P
1.2574033
Molar Refractivity
29.4048
Polarizability
11.307244
Polar Surface Area
38.91
Rotatable Bonds
0
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
No Data Available
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Molecule Details
References
Bioactivity
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