Molecule

ID:101236

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NOS
Molecular Mass
203.26026
Exact Mass
203.04048491
Charge
0
InChI
InChI=1S/C11H9NOS/c1-8-12-11(7-14-8)10-4-2-9(6-13)3-5-10/h2-7H,1H3
InChIKey
KZEOQFIBKXJGEX-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)c1csc(n1)C
Isomeric Smiles
n1c(csc1C)c1ccc(C=O)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.500215
LogD (pH = 7.4)
2.5006754
Log P
2.5006814
Molar Refractivity
57.0553
Polarizability
22.70651
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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