Molecule
ID:85398
General Information
Molecular Formula
C₃H₅NOS
Molecular Mass
103.1429
Exact Mass
103.00918479
Charge
0
InChI
InChI=1S/C3H5NOS/c6-3-4-1-2-5-3/h1-2H2,(H,4,6)
InChIKey
UMURLIQHQSKULR-UHFFFAOYSA-N
Canonic Smiles
S=C1NCCO1
Isomeric Smiles
N1C(=S)OCC1
Calculated Properties
JChem
Acid pKa
8.808751
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
0.53083456
LogD (pH = 7.4)
0.5163291
Log P
0.5310235
Molar Refractivity
27.0081
Polarizability
10.808395
Polar Surface Area
21.26
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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