Molecule

ID:59509

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NOS
Molecular Mass
203.26026
Exact Mass
203.04048491
Charge
0
InChI
InChI=1S/C11H9NOS/c1-8-10(7-13)14-11(12-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
QRPSQJOXOZJEHJ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1sc(nc1C)c1ccccc1
Isomeric Smiles
n1c(sc(c1C)C=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6331043
LogD (pH = 7.4)
2.6331205
Log P
2.6331208
Molar Refractivity
67.3276
Polarizability
22.045567
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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