Molecule

ID:82607

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂S₃
Molecular Mass
271.37896
Exact Mass
270.97954153
Charge
0
InChI
InChI=1S/C10H9NO2S3/c11-16(12,13)10-7-6-9(15-10)14-8-4-2-1-3-5-8/h1-7H,(H2,11,12,13)
InChIKey
BVPMOQRPWXKBNY-UHFFFAOYSA-N
Canonic Smiles
NS(=O)(=O)c1ccc(s1)Sc1ccccc1
Isomeric Smiles
S(=O)(=O)(c1ccc(s1)Sc1ccccc1)N
Calculated Properties
JChem
Acid pKa
8.797037
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.880266
LogD (pH = 7.4)
2.8653724
Log P
2.88046
Molar Refractivity
66.3256
Polarizability
26.959232
Polar Surface Area
60.16
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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