Molecule

ID:67926

General Information
Structure
MolImage
Molecular Formula
C₈H₈ClNS
Molecular Mass
185.67382
Exact Mass
185.00659794
Charge
0
InChI
InChI=1S/C8H7NS.ClH/c9-7-5-10-8-4-2-1-3-6(7)8;/h1-5H,9H2;1H
InChIKey
DDITYYPIADDMFF-UHFFFAOYSA-N
Canonic Smiles
Nc1csc2c1cccc2.Cl
Isomeric Smiles
Nc1c2c(sc1)cccc2.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0203447
LogD (pH = 7.4)
2.0203447
Log P
2.0203447
Molar Refractivity
44.0985
Polarizability
17.63938
Polar Surface Area
26.02
Rotatable Bonds
0
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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