Molecule

ID:106193

General Information
Structure
MolImage
Molecular Formula
C₆H₇NO₂S
Molecular Mass
157.19028
Exact Mass
157.01974947
Charge
0
InChI
InChI=1S/C6H7NO2S/c7-5(6(8)9)4-1-2-10-3-4/h1-3,5H,7H2,(H,8,9)/t5-/m0/s1
InChIKey
BVGBBSAQOQTNGF-YFKPBYRVSA-N
Canonic Smiles
OC(=O)[C@H](c1cscc1)N
Isomeric Smiles
N[C@H](C(=O)O)c1cscc1
Calculated Properties
JChem
Acid pKa
2.33612
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.6888837
LogD (pH = 7.4)
-1.7182349
Log P
-1.6891506
Molar Refractivity
37.4671
Polarizability
14.764615
Polar Surface Area
63.32
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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