Molecule

ID:74160

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClN₂S
Molecular Mass
170.61942
Exact Mass
169.97054679
Charge
0
InChI
InChI=1S/C6H3ClN2S/c7-4-2-1-3-5-6(4)10-9-8-5/h1-3H
InChIKey
JKRBCVUYXGAUJJ-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc2c1snn2
Isomeric Smiles
n1nc2c(c(ccc2)Cl)s1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.647461
LogD (pH = 7.4)
2.6474612
Log P
2.6474612
Molar Refractivity
41.0231
Polarizability
16.689909
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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