Molecule

ID:77471

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂OS
Molecular Mass
204.24832
Exact Mass
204.03573389
Charge
0
InChI
InChI=1S/C10H8N2OS/c1-7-9(6-13)14-10(12-7)8-2-4-11-5-3-8/h2-6H,1H3
InChIKey
DBJGBXWDMYPPLF-UHFFFAOYSA-N
Canonic Smiles
O=Cc1sc(nc1C)c1ccncc1
Isomeric Smiles
n1c(c2ccncc2)sc(c1C)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4129242
LogD (pH = 7.4)
1.4154165
Log P
1.4154483
Molar Refractivity
65.1707
Polarizability
21.157562
Polar Surface Area
42.85
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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