Molecule

ID:6414

General Information
Structure
MolImage
Molecular Formula
C₃H₃NS
Molecular Mass
85.12762
Exact Mass
84.9986201
Charge
0
InChI
InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H
InChIKey
FZWLAAWBMGSTSO-UHFFFAOYSA-N
Canonic Smiles
c1nccs1
Isomeric Smiles
c1ncsc1
Calculated Properties
JChem
LogD (pH = 7.4)
0.63
LogD (pH = 5.5)
0.63
Log P
0.63
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
2.89
Polar Surface Area
12.89
Polarizability
7.93
Molar Refractivity
21.27
LOG S
-0.38
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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