Molecule

ID:130733

General Information
Structure
MolImage
Molecular Formula
C₂H₇NNaO₃PS
Molecular Mass
179.110411
Exact Mass
178.978195
Charge
0
InChI
InChI=1S/C2H8NO3PS.Na/c3-1-2-8-7(4,5)6;/h1-3H2,(H2,4,5,6);/q;+1/p-1
InChIKey
VZEGNYNPDZDIRW-UHFFFAOYSA-M
Canonic Smiles
[O-]P(=O)(SCCN)O.[Na+]
Isomeric Smiles
C(CSP(=O)(O)[O-])N.[Na+]
Calculated Properties
JChem
Acid pKa
2.0519452
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.202093
LogD (pH = 7.4)
-2.845599
Log P
-2.187846
Molar Refractivity
32.5716
Polarizability
13.274313
Polar Surface Area
86.38
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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