Molecule

ID:67405

General Information
Structure
MolImage
Molecular Formula
C₄H₅NS
Molecular Mass
99.1542
Exact Mass
99.01427017
Charge
0
InChI
InChI=1S/C4H5NS/c1-4-5-2-3-6-4/h2-3H,1H3
InChIKey
VZWOXDYRBDIHMA-UHFFFAOYSA-N
Canonic Smiles
Cc1nccs1
Isomeric Smiles
s1c(ncc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.75035053
LogD (pH = 7.4)
0.7550431
Log P
0.75510335
Molar Refractivity
25.7071
Polarizability
9.875084
Polar Surface Area
12.89
Rotatable Bonds
0
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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