Molecule

ID:85807

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClNOS
Molecular Mass
199.65734
Exact Mass
198.9858625
Charge
0
InChI
InChI=1S/C8H6ClNOS/c1-11-8-3-2-6(9)4-7(8)10-5-12/h2-4H,1H3
InChIKey
WGLDKQQXEWPFAR-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1N=C=S)Cl
Isomeric Smiles
N(=C=S)c1c(ccc(c1)Cl)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4414442
LogD (pH = 7.4)
3.4414444
Log P
3.4414444
Molar Refractivity
54.3889
Polarizability
20.405552
Polar Surface Area
21.59
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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