Molecule

ID:84482

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NOS
Molecular Mass
203.26026
Exact Mass
203.04048491
Charge
0
InChI
InChI=1S/C11H9NOS/c1-14-11-9(7-13)6-8-4-2-3-5-10(8)12-11/h2-7H,1H3
InChIKey
CPVCVAVEXFRUFB-UHFFFAOYSA-N
Canonic Smiles
CSc1nc2ccccc2cc1C=O
Isomeric Smiles
n1c(c(cc2c1cccc2)C=O)SC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0659559
LogD (pH = 7.4)
3.066076
Log P
3.0660775
Molar Refractivity
59.6357
Polarizability
23.777765
Polar Surface Area
29.96
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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