Molecule

ID:70686

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClN₂S
Molecular Mass
170.61942
Exact Mass
169.97054679
Charge
0
InChI
InChI=1S/C6H3ClN2S/c7-6-8-3-4-1-2-10-5(4)9-6/h1-3H
InChIKey
VTTHDZKNPJZPEM-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc2c(n1)scc2
Isomeric Smiles
c1(nc2c(cn1)ccs2)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2017727
LogD (pH = 7.4)
2.2017727
Log P
2.2017727
Molar Refractivity
41.5136
Polarizability
16.08913
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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