Molecule

ID:80661

General Information
Structure
MolImage
Molecular Formula
C₉H₅ClN₂OS
Molecular Mass
224.6668
Exact Mass
223.98111147
Charge
0
InChI
InChI=1S/C9H5ClN2OS/c10-9(13)7-3-1-6(2-4-7)8-5-14-12-11-8/h1-5H
InChIKey
SZZWMNJQWMQKRY-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc(cc1)c1csnn1
Isomeric Smiles
n1nc(cs1)c1ccc(cc1)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7859712
LogD (pH = 7.4)
2.7859716
Log P
2.7859716
Molar Refractivity
56.2349
Polarizability
21.973642
Polar Surface Area
42.85
Rotatable Bonds
2
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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