Molecule

ID:90981

General Information
Structure
MolImage
Molecular Formula
C₈H₄ClNO₂S
Molecular Mass
213.64086
Exact Mass
212.96512705
Charge
0
InChI
InChI=1S/C8H4ClNO2S/c9-8(11)6-7(12-4-10-6)5-2-1-3-13-5/h1-4H
InChIKey
KAAQPCPNYMZOAY-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ncoc1c1cccs1
Isomeric Smiles
s1cccc1c1c(nco1)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8362746
LogD (pH = 7.4)
1.8362746
Log P
1.8362746
Molar Refractivity
49.4137
Polarizability
19.770185
Polar Surface Area
43.1
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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