Molecule
ID:81519
General Information
Molecular Formula
C₄H₇NOS
Molecular Mass
117.16948
Exact Mass
117.02483485
Charge
0
InChI
InChI=1S/C4H7NOS/c6-5-4-1-2-7-3-4/h6H,1-3H2
InChIKey
DWWREQRWOXEVGY-UHFFFAOYSA-N
Canonic Smiles
O/N=C/1\CSCC1
Isomeric Smiles
N(=C\1/CCSC1)\O
Calculated Properties
JChem
Acid pKa
11.064607
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5638888
LogD (pH = 7.4)
0.5638043
Log P
0.563898
Molar Refractivity
30.6862
Polarizability
11.868501
Polar Surface Area
32.59
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
No Data Available
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Related Proteins
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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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