Molecule

ID:80593

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClNS
Molecular Mass
199.7004
Exact Mass
199.02224801
Charge
0
InChI
InChI=1S/C9H9NS.ClH/c10-5-7-6-11-9-4-2-1-3-8(7)9;/h1-4,6H,5,10H2;1H
InChIKey
MIAPJPCDRSPNPW-UHFFFAOYSA-N
Canonic Smiles
NCc1csc2c1cccc2.Cl
Isomeric Smiles
s1cc(c2c1cccc2)CN.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.99694
LogD (pH = 7.4)
0.05173577
Log P
1.975039
Molar Refractivity
47.8715
Polarizability
19.912863
Polar Surface Area
26.02
Rotatable Bonds
1
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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