Molecule

ID:131316

General Information
Structure
MolImage
Molecular Formula
C₃H₇NOS
Molecular Mass
105.15878
Exact Mass
105.02483485
Charge
0
InChI
InChI=1S/C3H7NOS/c1-4-3(5)2-6/h6H,2H2,1H3,(H,4,5)
InChIKey
NSJNRJYQQPRCLF-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)CS
Isomeric Smiles
CNC(=O)CS
Calculated Properties
JChem
LogD (pH = 7.4)
-0.58
LogD (pH = 5.5)
-0.58
Log P
-0.58
Rotatable Bonds
1
H Donor
2
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
9.45
Polar Surface Area
29.10
Polarizability
10.60
Molar Refractivity
27.19
LOG S
-0.14
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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