Molecule

ID:66475

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NOS
Molecular Mass
189.23368
Exact Mass
189.02483485
Charge
0
InChI
InChI=1S/C10H7NOS/c12-7-8-3-1-2-4-9(8)10-11-5-6-13-10/h1-7H
InChIKey
PFOXNJMCQNJJES-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1c1nccs1
Isomeric Smiles
C(=O)c1c(cccc1)c1sccn1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.368965
LogD (pH = 7.4)
2.3693068
Log P
2.369311
Molar Refractivity
62.952
Polarizability
20.274134
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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