Molecule

ID:92203

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(10(7-13)14-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
LQEZDDVXBGIBSF-UHFFFAOYSA-N
Canonic Smiles
O=Cc1sc(nc1c1ccccc1)C
Isomeric Smiles
s1c(c(c2ccccc2)nc1C)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6331
LogD (pH = 7.4)
2.6331205
Log P
2.6331208
Molar Refractivity
56.8394
Polarizability
22.726408
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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