Molecule

ID:80632

General Information
Structure
MolImage
Molecular Formula
C₈H₅ClN₂O₂S
Molecular Mass
228.6555
Exact Mass
227.97602609
Charge
0
InChI
InChI=1S/C8H5ClN2O2S/c1-4-10-6(3-14-4)7-2-5(8(9)12)11-13-7/h2-3H,1H3
InChIKey
ZMLLGBGFTHPMID-UHFFFAOYSA-N
Canonic Smiles
Cc1scc(n1)c1onc(c1)C(=O)Cl
Isomeric Smiles
n1c(cc(c2csc(n2)C)o1)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6494021
LogD (pH = 7.4)
1.6494874
Log P
1.6494884
Molar Refractivity
52.5335
Polarizability
20.697918
Polar Surface Area
55.99
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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