Molecule

ID:55566

General Information
Structure
MolImage
Molecular Formula
C₅H₆ClNS
Molecular Mass
147.62584
Exact Mass
146.99094788
Charge
0
InChI
InChI=1S/C5H6ClNS/c1-4-5(2-6)8-3-7-4/h3H,2H2,1H3
InChIKey
QYNYCFHHMAVVQB-UHFFFAOYSA-N
Canonic Smiles
Cc1ncsc1CCl
Isomeric Smiles
c1(c(ncs1)C)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4828517
LogD (pH = 7.4)
1.4830873
Log P
1.4830903
Molar Refractivity
35.5089
Polarizability
13.5889
Polar Surface Area
12.89
Rotatable Bonds
1
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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