Molecule

ID:54929

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClN₂S
Molecular Mass
170.61942
Exact Mass
169.97054679
Charge
0
InChI
InChI=1S/C6H3ClN2S/c7-6-5-4(1-2-10-5)8-3-9-6/h1-3H
InChIKey
TWTODSLDHCDLDR-UHFFFAOYSA-N
Canonic Smiles
Clc1ncnc2c1scc2
Isomeric Smiles
c1nc2c(c(n1)Cl)scc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1358309
LogD (pH = 7.4)
2.1358323
Log P
2.1358325
Molar Refractivity
41.5565
Polarizability
16.687016
Polar Surface Area
25.78
Rotatable Bonds
0
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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