Molecule

ID:61682

General Information
Structure
MolImage
Molecular Formula
C₄H₂ClNOS
Molecular Mass
147.58278
Exact Mass
146.95456237
Charge
0
InChI
InChI=1S/C4H2ClNOS/c5-4-3(1-7)8-2-6-4/h1-2H
InChIKey
GJTWEAFBOIYNLZ-UHFFFAOYSA-N
Canonic Smiles
Clc1ncsc1C=O
Isomeric Smiles
c1(c(ncs1)Cl)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.301202
LogD (pH = 7.4)
1.3012022
Log P
1.3012022
Molar Refractivity
33.5006
Polarizability
12.14416
Polar Surface Area
29.96
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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