Molecule

ID:64623

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂ClNS
Molecular Mass
201.71628
Exact Mass
201.03789807
Charge
0
InChI
InChI=1S/C9H11NS.ClH/c10-9-6-11-5-7-3-1-2-4-8(7)9;/h1-4,9H,5-6,10H2;1H
InChIKey
NZDWPPWVNMWXBR-UHFFFAOYSA-N
Canonic Smiles
NC1CSCc2c1cccc2.Cl
Isomeric Smiles
c12c(CSCC1N)cccc2.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.3614177
LogD (pH = 7.4)
-0.2478584
Log P
1.5985998
Molar Refractivity
49.9313
Polarizability
19.735355
Polar Surface Area
26.02
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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