Molecule

ID:78419

General Information
Structure
MolImage
Molecular Formula
C₄H₅NOS
Molecular Mass
115.1536
Exact Mass
115.00918479
Charge
0
InChI
InChI=1S/C4H5NOS/c6-3-4-1-2-5-7-4/h1-2,6H,3H2
InChIKey
VDJLMGHKRZLAFP-UHFFFAOYSA-N
Canonic Smiles
OCc1ccns1
Isomeric Smiles
s1nccc1CO
Calculated Properties
JChem
Acid pKa
13.6536045
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.3078778
LogD (pH = 7.4)
0.30794778
Log P
0.30794892
Molar Refractivity
28.599
Polarizability
10.639601
Polar Surface Area
33.12
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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