Molecule

ID:81676

General Information
Structure
MolImage
Molecular Formula
C₆H₇NO₂S
Molecular Mass
157.19028
Exact Mass
157.01974947
Charge
0
InChI
InChI=1S/C6H7NO2S/c1-9-6(8)4-2-10-3-5(4)7/h2-3H,7H2,1H3
InChIKey
BUFZZXCVOFBHLS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cscc1N
Isomeric Smiles
s1cc(c(c1)N)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5782387
LogD (pH = 7.4)
1.5782387
Log P
1.5782387
Molar Refractivity
39.8895
Polarizability
14.6155815
Polar Surface Area
52.32
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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