Molecule

ID:42493

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NOS
Molecular Mass
203.26026
Exact Mass
203.04048491
Charge
0
InChI
InChI=1S/C11H9NOS/c12-11-9(6-7-14-11)10(13)8-4-2-1-3-5-8/h1-7H,12H2
InChIKey
VXIMIQNIBMDZCM-UHFFFAOYSA-N
Canonic Smiles
Nc1sccc1C(=O)c1ccccc1
Isomeric Smiles
c1(c(scc1)N)C(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
19.101496
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.200111
LogD (pH = 7.4)
3.200111
Log P
3.200111
Molar Refractivity
57.5996
Polarizability
21.7702
Polar Surface Area
43.09
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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