Molecule

ID:42713

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NOS
Molecular Mass
189.23368
Exact Mass
189.02483485
Charge
0
InChI
InChI=1S/C10H7NOS/c12-6-8-1-2-10(11-5-8)9-3-4-13-7-9/h1-7H
InChIKey
FWJYLCWTCJHNRK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(nc1)c1cscc1
Isomeric Smiles
c1(c2ncc(C=O)cc2)cscc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.280349
LogD (pH = 7.4)
2.2815776
Log P
2.2815933
Molar Refractivity
52.3551
Polarizability
20.935324
Polar Surface Area
29.96
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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