Molecule

ID:128302

General Information
Structure
MolImage
Molecular Formula
C₂H₈NO₂PS
Molecular Mass
141.129181
Exact Mass
141.00133613
Charge
0
InChI
InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4)
InChIKey
NNKVPIKMPCQWCG-UHFFFAOYSA-N
Canonic Smiles
COP(=O)(SC)N
Isomeric Smiles
O=P(OC)(SC)N
Calculated Properties
JChem
LogD (pH = 7.4)
-0.32
LogD (pH = 5.5)
-0.32
Log P
-0.32
Rotatable Bonds
2
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
15.57
Polar Surface Area
52.32
Polarizability
12.23
Molar Refractivity
31.68
LOG S
0.11
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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