Molecule

ID:80677

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NOS
Molecular Mass
189.23368
Exact Mass
189.02483485
Charge
0
InChI
InChI=1S/C10H7NOS/c12-6-9-7-13-10(11-9)8-4-2-1-3-5-8/h1-7H
InChIKey
OLLKCCGWRITPOV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1csc(n1)c1ccccc1
Isomeric Smiles
n1c(c2ccccc2)scc1C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.043848
LogD (pH = 7.4)
3.0438542
Log P
3.0438542
Molar Refractivity
62.5668
Polarizability
20.284399
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
No Data Available
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Molecule Details
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References
Bioactivity
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