Molecule

ID:59492

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NOS
Molecular Mass
203.26026
Exact Mass
203.04048491
Charge
0
InChI
InChI=1S/C11H9NOS/c1-8(13)11-12-10(7-14-11)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
WLRIQFOJQQWQRX-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1scc(n1)c1ccccc1
Isomeric Smiles
n1c(scc1c1ccccc1)C(=O)C
Calculated Properties
JChem
Acid pKa
13.779135
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6003063
LogD (pH = 7.4)
2.6003065
Log P
2.6003067
Molar Refractivity
55.9106
Polarizability
22.811811
Polar Surface Area
29.96
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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