Molecule

ID:65155

General Information
Structure
MolImage
Molecular Formula
C₇H₈N₂O₃S
Molecular Mass
200.21502
Exact Mass
200.02556313
Charge
0
InChI
InChI=1S/C7H8N2O3S/c1-4(10)9-7-8-3-5(13-7)6(11)12-2/h3H,1-2H3,(H,8,9,10)
InChIKey
BDOCUFPLXVCJIO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cnc(s1)NC(=O)C
Isomeric Smiles
s1c(cnc1NC(=O)C)C(=O)OC
Calculated Properties
JChem
Acid pKa
10.655217
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.68991244
LogD (pH = 7.4)
0.6896861
Log P
0.68991536
Molar Refractivity
47.4121
Polarizability
17.6274
Polar Surface Area
68.29
Rotatable Bonds
3
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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