Molecule
ID:50822
General Information
Molecular Formula
C₆H₃ClN₂S
Molecular Mass
170.61942
Exact Mass
169.97054679
Charge
0
InChI
InChI=1S/C6H3ClN2S/c7-6-8-3-5-4(9-6)1-2-10-5/h1-3H
InChIKey
QKRVOGZPQVCVPZ-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2ccsc2cn1
Isomeric Smiles
n1c(ncc2c1ccs2)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.220161
LogD (pH = 7.4)
2.220161
Log P
2.220161
Molar Refractivity
41.189
Polarizability
16.727945
Polar Surface Area
25.78
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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